 Entering Gaussian System, Link 0=g16
 Input=31_naproxen_conformer06_STD_B3LYPDBJ_def2SVPD.in
 Output=31_naproxen_conformer06_STD_B3LYPDBJ_def2SVPD.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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                  0.28148150384D-01      1.0000000
            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_def2SVPD/Gau-168656.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_def2SVPD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    168657.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=31_naproxen_conformer06_STD_B3LYPDBJ_def2SVPD
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 20:42:52 2021, MaxMem=  5368709120 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "31_naproxen_conformer06_STD_B3LYPDBJ_def2SVPD.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 0.567529000000     -0.314210000000      0.221267000000
  C                                                 1.116501000000      0.958834000000     -0.121705000000
  C                                                -0.832468000000     -0.452394000000      0.346989000000
  C                                                -1.683696000000      0.608480000000      0.142165000000
  C                                                -1.129092000000      1.866387000000     -0.201361000000
  C                                                 0.222901000000      2.038684000000     -0.327975000000
  C                                                 1.454755000000     -1.393161000000      0.424360000000
  H                                                -1.231675000000     -1.426463000000      0.608205000000
  H                                                -1.795403000000      2.705320000000     -0.363172000000
  H                                                 0.626528000000      3.008752000000     -0.590297000000
  C                                                -3.181225000000      0.455073000000      0.309625000000
  C                                                -3.596004000000      0.302981000000      1.774735000000
  C                                                -3.777838000000     -0.669365000000     -0.546498000000
  H                                                -3.650918000000      1.363909000000     -0.084442000000
  H                                                -3.157853000000     -0.597186000000      2.206387000000
  H                                                -4.678109000000      0.225656000000      1.860053000000
  H                                                -3.249256000000      1.161577000000      2.349930000000
  O                                                -4.726990000000     -1.325156000000     -0.223619000000
  O                                                -3.202213000000     -0.855212000000     -1.757282000000
  H                                                -2.391116000000     -0.328302000000     -1.815758000000
  C                                                 2.811014000000     -1.236817000000      0.299275000000
  C                                                 3.349389000000      0.027072000000     -0.040677000000
  C                                                 2.511206000000      1.099868000000     -0.246327000000
  O                                                 4.681594000000      0.258681000000     -0.182443000000
  C                                                 5.589463000000     -0.812553000000      0.016953000000
  H                                                 1.048620000000     -2.363129000000      0.683601000000
  H                                                 3.460822000000     -2.083374000000      0.461722000000
  H                                                 2.940663000000      2.058592000000     -0.506194000000
  H                                                 5.415680000000     -1.623094000000     -0.696322000000
  H                                                 5.528037000000     -1.205433000000      1.035691000000
  H                                                 6.580248000000     -0.396589000000     -0.147622000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     31 NQM=       31 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           0           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          12           1           1           1           1          16          16           1
 AtmWgt=  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250  15.9949146  15.9949146   1.0078250
 NucSpn=           0           0           0           1           1           1           1           0           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   5.6000000   5.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   8.0000000   8.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=          12          12          12          16          12           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        31
 IAtWgt=           1
 AtmWgt=   1.0078250
 NucSpn=           1
 AtZEff=   1.0000000
 NQMom=    0.0000000
 NMagM=    2.7928460
 AtZNuc=   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Thu Aug 12 20:42:52 2021, MaxMem=  5368709120 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.567529   -0.314210    0.221267
      2          6           0        1.116501    0.958834   -0.121705
      3          6           0       -0.832468   -0.452394    0.346989
      4          6           0       -1.683696    0.608480    0.142165
      5          6           0       -1.129092    1.866387   -0.201361
      6          6           0        0.222901    2.038684   -0.327975
      7          6           0        1.454755   -1.393161    0.424360
      8          1           0       -1.231675   -1.426463    0.608205
      9          1           0       -1.795403    2.705320   -0.363172
     10          1           0        0.626528    3.008752   -0.590297
     11          6           0       -3.181225    0.455073    0.309625
     12          6           0       -3.596004    0.302981    1.774735
     13          6           0       -3.777838   -0.669365   -0.546498
     14          1           0       -3.650918    1.363909   -0.084442
     15          1           0       -3.157853   -0.597186    2.206387
     16          1           0       -4.678109    0.225656    1.860053
     17          1           0       -3.249256    1.161577    2.349930
     18          8           0       -4.726990   -1.325156   -0.223619
     19          8           0       -3.202213   -0.855212   -1.757282
     20          1           0       -2.391116   -0.328302   -1.815758
     21          6           0        2.811014   -1.236817    0.299275
     22          6           0        3.349389    0.027072   -0.040677
     23          6           0        2.511206    1.099868   -0.246327
     24          8           0        4.681594    0.258681   -0.182443
     25          6           0        5.589463   -0.812553    0.016953
     26          1           0        1.048620   -2.363129    0.683601
     27          1           0        3.460822   -2.083374    0.461722
     28          1           0        2.940663    2.058592   -0.506194
     29          1           0        5.415680   -1.623094   -0.696322
     30          1           0        5.528037   -1.205433    1.035691
     31          1           0        6.580248   -0.396589   -0.147622
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.428160   0.000000
     3  C    1.412407   2.451473   0.000000
     4  C    2.434261   2.834339   1.375498   0.000000
     5  C    2.795021   2.423362   2.401129   1.417013   0.000000
     6  C    2.440603   1.416737   2.788342   2.429326   1.368796
     7  C    1.411578   2.438131   2.474352   3.733105   4.206239
     8  H    2.150340   3.425834   1.084625   2.136003   3.392460
     9  H    3.878476   3.404072   3.376793   2.159764   1.083495
    10  H    3.421139   2.159124   3.871267   3.411003   2.130369
    11  C    3.827892   4.348594   2.518244   1.514652   2.542472
    12  C    4.486557   5.121946   3.200966   2.532891   3.526308
    13  C    4.426942   5.175523   3.085547   2.548053   3.683071
    14  H    4.550257   4.784742   3.380643   2.119431   2.574055
    15  H    4.230750   5.109923   2.980896   2.808520   3.997789
    16  H    5.522119   6.167854   4.187848   3.473356   4.420062
    17  H    4.612700   5.020948   3.529524   2.762448   3.391303
    18  O    5.408499   6.274821   4.031700   3.624139   4.809502
    19  O    4.291654   4.961569   3.194669   2.838342   3.758433
    20  H    3.592109   4.102428   2.668756   2.282864   3.002606
    21  C    2.427038   2.805260   3.727272   4.861298   5.040332
    22  C    2.814930   2.420854   4.227068   5.069853   4.844140
    23  C    2.448702   1.407346   3.733858   4.241414   3.720396
    24  O    4.173334   3.633702   5.584873   6.383153   6.029025
    25  C    5.050734   4.812944   6.440484   7.411738   7.236253
    26  H    2.154825   3.418854   2.702352   4.072980   4.838842
    27  H    3.399839   3.884747   4.594083   5.815003   6.091601
    28  H    3.433825   2.164455   4.611886   4.889570   4.085679
    29  H    5.104872   5.047720   6.441924   7.488933   7.433405
    30  H    5.105311   5.048293   6.441848   7.489844   7.435304
    31  H    6.024588   5.629420   7.429409   8.329881   8.034791
                    6          7          8          9         10
     6  C    0.000000
     7  C    3.723041   0.000000
     8  H    3.872915   2.692919   0.000000
     9  H    2.125839   5.289733   4.281704   0.000000
    10  H    1.082940   4.592638   4.955851   2.451409   0.000000
    11  C    3.808206   4.992138   2.725816   2.727044   4.672271
    12  C    4.692344   5.496415   3.153065   3.685654   5.544759
    13  C    4.836031   5.370891   2.896460   3.918183   5.738371
    14  H    3.939683   5.824793   3.757482   2.306515   4.610634
    15  H    4.979990   5.008528   2.636674   4.400619   5.928387
    16  H    5.665195   6.503369   4.021757   4.404708   6.472172
    17  H    4.471730   5.688781   3.715130   3.443509   5.203719
    18  O    5.985627   6.215985   3.594360   4.985821   6.897635
    19  O    4.706268   5.170716   3.131274   4.074315   5.563392
    20  H    3.827428   4.576328   2.902733   3.415808   4.663031
    21  C    4.221455   1.370959   4.058908   6.099046   4.856766
    22  C    3.728814   2.413081   4.849738   5.809122   4.075104
    23  C    2.474749   2.789463   4.595838   4.597609   2.704471
    24  O    4.803075   3.675497   6.199321   6.926052   4.916584
    25  C    6.086749   4.195104   6.874183   8.188783   6.293000
    26  H    4.591411   1.083046   2.466328   5.905368   5.536974
    27  H    5.300860   2.121814   4.740519   7.158208   5.921969
    28  H    2.723672   3.871492   5.549405   4.782158   2.503018
    29  H    6.364688   4.122830   6.777004   8.416999   6.663424
    30  H    6.366188   4.123178   6.776821   8.419239   6.665432
    31  H    6.810209   5.252713   7.915684   8.934194   6.873070
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.530268   0.000000
    13  C    1.534032   2.523221   0.000000
    14  H    1.096304   2.141290   2.088973   0.000000
    15  H    2.169217   1.090230   2.822759   3.055635   0.000000
    16  H    2.167284   1.088214   2.720852   2.476248   1.763007
    17  H    2.160236   1.090078   3.467138   2.475568   1.766977
    18  O    2.417220   2.814850   1.197999   2.899719   2.982794
    19  O    2.447323   3.737864   1.353470   2.815001   3.972306
    20  H    2.399000   3.839520   1.910587   2.729127   4.103393
    21  C    6.226518   6.752617   6.667106   6.976215   6.298696
    22  C    6.553992   7.184033   7.179014   7.126945   6.912539
    23  C    5.755746   6.482109   6.540058   6.169902   6.405781
    24  O    7.880649   8.505947   8.517969   8.406063   8.239900
    25  C    8.866651   9.418440   9.385324   9.493783   9.019731
    26  H    5.096441   5.465460   5.260863   6.047012   4.809558
    27  H    7.112217   7.564224   7.444067   7.922052   7.004247
    28  H    6.380779   7.142326   7.251319   6.641491   7.183533
    29  H    8.901544   9.540772   9.244069   9.565552   9.109538
    30  H    8.895825   9.277372   9.454629   9.597366   8.785510
    31  H    9.809218  10.379834  10.369352  10.381720  10.020589
                   16         17         18         19         20
    16  H    0.000000
    17  H    1.776949   0.000000
    18  O    2.597902   3.871782   0.000000
    19  O    4.053598   4.575898   2.213123   0.000000
    20  H    4.364492   4.506562   2.997488   0.968985   0.000000
    21  C    7.788570   6.832595   7.556635   6.366628   5.688666
    22  C    8.251844   7.109446   8.190842   6.829981   6.019186
    23  C    7.542369   6.318804   7.633658   6.224828   5.341867
    24  O    9.580027   8.374158   9.541053   8.116359   7.282547
    25  C   10.483221   9.352161  10.331981   8.969019   8.202620
    26  H    6.393846   5.802753   5.937854   5.128480   4.713714
    27  H    8.574914   7.688965   8.251355   7.129404   6.520151
    28  H    8.185626   6.875840   8.385851   6.913060   5.986659
    29  H   10.575325   9.597664  10.158050   8.716843   7.992227
    30  H   10.338907   9.185360  10.332752   9.172820   8.462453
    31  H   11.452884  10.260838  11.345556   9.924610   9.125388
                   21         22         23         24         25
    21  C    0.000000
    22  C    1.415214   0.000000
    23  C    2.418194   1.376857   0.000000
    24  O    2.442875   1.359599   2.328575   0.000000
    25  C    2.824798   2.392953   3.633502   1.418283   0.000000
    26  H    2.126574   3.395759   3.872502   4.563159   4.844374
    27  H    1.079490   2.172281   3.396488   2.718539   2.518714
    28  H    3.394895   2.123873   1.082181   2.524943   3.941230
    29  H    2.815086   2.724422   4.006618   2.084234   1.093590
    30  H    2.815228   2.724728   4.007400   2.084214   1.093597
    31  H    3.887522   3.260272   4.336615   2.008850   1.087091
                   26         27         28         29         30
    26  H    0.000000
    27  H    2.438486   0.000000
    28  H    4.954499   4.285243   0.000000
    29  H    4.639294   2.318274   4.440346   0.000000
    30  H    4.639979   2.318102   4.441371   1.785199   0.000000
    31  H    5.929344   3.598244   4.404891   1.778090   1.778091
                   31
    31  H    0.000000
 Stoichiometry    C14H14O3
 Framework group  C1[X(C14H14O3)]
 Deg. of freedom    87
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 5.15D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.567529   -0.314210    0.221267
      2          6           0        1.116501    0.958834   -0.121705
      3          6           0       -0.832468   -0.452394    0.346989
      4          6           0       -1.683696    0.608480    0.142165
      5          6           0       -1.129092    1.866387   -0.201361
      6          6           0        0.222901    2.038684   -0.327975
      7          6           0        1.454755   -1.393161    0.424360
      8          1           0       -1.231675   -1.426463    0.608205
      9          1           0       -1.795403    2.705320   -0.363172
     10          1           0        0.626528    3.008752   -0.590297
     11          6           0       -3.181225    0.455073    0.309625
     12          6           0       -3.596004    0.302981    1.774735
     13          6           0       -3.777838   -0.669365   -0.546498
     14          1           0       -3.650918    1.363909   -0.084442
     15          1           0       -3.157853   -0.597186    2.206387
     16          1           0       -4.678109    0.225656    1.860053
     17          1           0       -3.249256    1.161577    2.349930
     18          8           0       -4.726990   -1.325156   -0.223619
     19          8           0       -3.202213   -0.855212   -1.757282
     20          1           0       -2.391116   -0.328302   -1.815758
     21          6           0        2.811014   -1.236817    0.299275
     22          6           0        3.349389    0.027072   -0.040677
     23          6           0        2.511206    1.099868   -0.246327
     24          8           0        4.681594    0.258681   -0.182443
     25          6           0        5.589463   -0.812553    0.016953
     26          1           0        1.048620   -2.363129    0.683601
     27          1           0        3.460822   -2.083374    0.461722
     28          1           0        2.940663    2.058592   -0.506194
     29          1           0        5.415680   -1.623094   -0.696322
     30          1           0        5.528037   -1.205433    1.035691
     31          1           0        6.580248   -0.396589   -0.147622
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.3057598           0.2090469           0.1973322
 Leave Link  202 at Thu Aug 12 20:42:52 2021, MaxMem=  5368709120 cpu:               0.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8      9     10     14     15     16     17     20     26     27
 Centers:      28     29     30     31
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7     11     12     13
 Centers:      21     22     23     25
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      18     19     24
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   495 symmetry adapted cartesian basis functions of A   symmetry.
 There are   461 symmetry adapted basis functions of A   symmetry.
   461 basis functions,   693 primitive gaussians,   495 cartesian basis functions
    61 alpha electrons       61 beta electrons
       nuclear repulsion energy      1134.4648957289 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   31 NActive=   31 NUniq=   31 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0643243357 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1134.4005713932 Hartrees.
 Leave Link  301 at Thu Aug 12 20:42:53 2021, MaxMem=  5368709120 cpu:               4.6 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   461 RedAO= T EigKep=  3.99D-06  NBF=   461
 NBsUse=   461 1.00D-06 EigRej= -1.00D+00 NBFU=   461
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   493   493   493   493   493 MxSgAt=    31 MxSgA2=    31.
 Leave Link  302 at Thu Aug 12 20:42:54 2021, MaxMem=  5368709120 cpu:               4.0 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 20:42:54 2021, MaxMem=  5368709120 cpu:               0.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "31_naproxen_conformer06_STD_B3LYPDBJ_def2SVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000    0.000000   -0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 20:42:55 2021, MaxMem=  5368709120 cpu:               5.1 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368210351 LenY=  5367964831
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 910000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -767.153215852722    
 DIIS: error= 2.80D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -767.153215852722     IErMin= 1 ErrMin= 2.80D-03
 ErrMax= 2.80D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.34D-02 BMatP= 1.34D-02
 IDIUse=3 WtCom= 9.72D-01 WtEn= 2.80D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.160 Goal=   None    Shift=    0.000
 GapD=    0.160 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=1.68D-02 MaxDP=1.16D+00              OVMax= 1.51D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.36D-02    CP:  1.29D+00
 E= -767.164580613331     Delta-E=       -0.011364760609 Rises=F Damp=F
 DIIS: error= 6.81D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -767.164580613331     IErMin= 2 ErrMin= 6.81D-04
 ErrMax= 6.81D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.46D-04 BMatP= 1.34D-02
 IDIUse=3 WtCom= 9.93D-01 WtEn= 6.81D-03
 Coeff-Com:  0.590D-01 0.941D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.586D-01 0.941D+00
 Gap=     0.161 Goal=   None    Shift=    0.000
 RMSDP=8.48D-04 MaxDP=7.03D-02 DE=-1.14D-02 OVMax= 8.06D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  3.06D-04    CP:  1.31D+00  1.04D+00
 E= -767.164158021039     Delta-E=        0.000422592291 Rises=F Damp=F
 DIIS: error= 1.11D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -767.164580613331     IErMin= 2 ErrMin= 6.81D-04
 ErrMax= 1.11D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.27D-03 BMatP= 6.46D-04
 IDIUse=3 WtCom= 2.31D-01 WtEn= 7.69D-01
 Coeff-Com: -0.150D-01 0.591D+00 0.424D+00
 Coeff-En:   0.000D+00 0.629D+00 0.371D+00
 Coeff:     -0.346D-02 0.620D+00 0.383D+00
 Gap=     0.160 Goal=   None    Shift=    0.000
 RMSDP=1.37D-04 MaxDP=5.49D-03 DE= 4.23D-04 OVMax= 5.82D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.13D-04    CP:  1.31D+00  1.04D+00  7.52D-01
 E= -767.165078301890     Delta-E=       -0.000920280851 Rises=F Damp=F
 DIIS: error= 1.24D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -767.165078301890     IErMin= 4 ErrMin= 1.24D-04
 ErrMax= 1.24D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.95D-05 BMatP= 6.46D-04
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.24D-03
 Coeff-Com: -0.104D-01 0.295D+00 0.196D+00 0.519D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.104D-01 0.295D+00 0.196D+00 0.520D+00
 Gap=     0.160 Goal=   None    Shift=    0.000
 RMSDP=6.51D-05 MaxDP=3.81D-03 DE=-9.20D-04 OVMax= 1.42D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  4.42D-05    CP:  1.31D+00  1.04D+00  6.97D-01  8.28D-01
 E= -767.165096125245     Delta-E=       -0.000017823355 Rises=F Damp=F
 DIIS: error= 3.96D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -767.165096125245     IErMin= 5 ErrMin= 3.96D-05
 ErrMax= 3.96D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.28D-06 BMatP= 1.95D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.434D-02 0.103D+00 0.678D-01 0.278D+00 0.555D+00
 Coeff:     -0.434D-02 0.103D+00 0.678D-01 0.278D+00 0.555D+00
 Gap=     0.160 Goal=   None    Shift=    0.000
 RMSDP=1.81D-05 MaxDP=8.94D-04 DE=-1.78D-05 OVMax= 6.40D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.34D-05    CP:  1.31D+00  1.04D+00  7.02D-01  8.40D-01  7.91D-01
 E= -767.165097587021     Delta-E=       -0.000001461776 Rises=F Damp=F
 DIIS: error= 1.77D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -767.165097587021     IErMin= 6 ErrMin= 1.77D-05
 ErrMax= 1.77D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.81D-07 BMatP= 2.28D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.823D-03 0.973D-02 0.676D-02 0.788D-01 0.377D+00 0.529D+00
 Coeff:     -0.823D-03 0.973D-02 0.676D-02 0.788D-01 0.377D+00 0.529D+00
 Gap=     0.160 Goal=   None    Shift=    0.000
 RMSDP=7.15D-06 MaxDP=2.88D-04 DE=-1.46D-06 OVMax= 2.65D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  4.83D-06    CP:  1.31D+00  1.04D+00  7.08D-01  8.38D-01  7.98D-01
                    CP:  7.13D-01
 E= -767.165098165123     Delta-E=       -0.000000578102 Rises=F Damp=F
 DIIS: error= 3.31D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -767.165098165123     IErMin= 7 ErrMin= 3.31D-06
 ErrMax= 3.31D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.35D-08 BMatP= 6.81D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.145D-03-0.111D-02-0.622D-03 0.222D-01 0.152D+00 0.262D+00
 Coeff-Com:  0.566D+00
 Coeff:     -0.145D-03-0.111D-02-0.622D-03 0.222D-01 0.152D+00 0.262D+00
 Coeff:      0.566D+00
 Gap=     0.160 Goal=   None    Shift=    0.000
 RMSDP=1.78D-06 MaxDP=8.41D-05 DE=-5.78D-07 OVMax= 5.47D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.17D-06    CP:  1.31D+00  1.04D+00  7.08D-01  8.37D-01  8.15D-01
                    CP:  6.90D-01  7.80D-01
 E= -767.165098180956     Delta-E=       -0.000000015833 Rises=F Damp=F
 DIIS: error= 1.81D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -767.165098180956     IErMin= 8 ErrMin= 1.81D-06
 ErrMax= 1.81D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.04D-09 BMatP= 2.35D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.632D-05-0.172D-02-0.116D-02 0.363D-02 0.447D-01 0.918D-01
 Coeff-Com:  0.357D+00 0.506D+00
 Coeff:      0.632D-05-0.172D-02-0.116D-02 0.363D-02 0.447D-01 0.918D-01
 Coeff:      0.357D+00 0.506D+00
 Gap=     0.160 Goal=   None    Shift=    0.000
 RMSDP=7.59D-07 MaxDP=2.81D-05 DE=-1.58D-08 OVMax= 2.82D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  5.42D-07    CP:  1.31D+00  1.04D+00  7.08D-01  8.40D-01  8.12D-01
                    CP:  7.02D-01  7.49D-01  7.18D-01
 E= -767.165098185397     Delta-E=       -0.000000004441 Rises=F Damp=F
 DIIS: error= 3.75D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -767.165098185397     IErMin= 9 ErrMin= 3.75D-07
 ErrMax= 3.75D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.60D-10 BMatP= 5.04D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.153D-04-0.835D-03-0.565D-03 0.662D-04 0.118D-01 0.271D-01
 Coeff-Com:  0.145D+00 0.262D+00 0.555D+00
 Coeff:      0.153D-04-0.835D-03-0.565D-03 0.662D-04 0.118D-01 0.271D-01
 Coeff:      0.145D+00 0.262D+00 0.555D+00
 Gap=     0.160 Goal=   None    Shift=    0.000
 RMSDP=2.40D-07 MaxDP=9.34D-06 DE=-4.44D-09 OVMax= 8.03D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.47D-07    CP:  1.31D+00  1.04D+00  7.08D-01  8.40D-01  8.13D-01
                    CP:  7.00D-01  7.65D-01  7.18D-01  7.66D-01
 E= -767.165098185702     Delta-E=       -0.000000000305 Rises=F Damp=F
 DIIS: error= 1.59D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -767.165098185702     IErMin=10 ErrMin= 1.59D-07
 ErrMax= 1.59D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.04D-11 BMatP= 2.60D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.817D-05-0.248D-03-0.166D-03-0.559D-03 0.500D-03 0.265D-02
 Coeff-Com:  0.374D-01 0.832D-01 0.322D+00 0.555D+00
 Coeff:      0.817D-05-0.248D-03-0.166D-03-0.559D-03 0.500D-03 0.265D-02
 Coeff:      0.374D-01 0.832D-01 0.322D+00 0.555D+00
 Gap=     0.160 Goal=   None    Shift=    0.000
 RMSDP=8.35D-08 MaxDP=3.62D-06 DE=-3.05D-10 OVMax= 2.60D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  5.57D-08    CP:  1.31D+00  1.04D+00  7.08D-01  8.39D-01  8.12D-01
                    CP:  7.01D-01  7.69D-01  7.04D-01  7.83D-01  7.34D-01
 E= -767.165098185761     Delta-E=       -0.000000000059 Rises=F Damp=F
 DIIS: error= 2.85D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -767.165098185761     IErMin=11 ErrMin= 2.85D-08
 ErrMax= 2.85D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.80D-12 BMatP= 4.04D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.241D-05-0.462D-04-0.297D-04-0.268D-03-0.674D-03-0.960D-03
 Coeff-Com:  0.605D-02 0.175D-01 0.105D+00 0.252D+00 0.621D+00
 Coeff:      0.241D-05-0.462D-04-0.297D-04-0.268D-03-0.674D-03-0.960D-03
 Coeff:      0.605D-02 0.175D-01 0.105D+00 0.252D+00 0.621D+00
 Gap=     0.160 Goal=   None    Shift=    0.000
 RMSDP=2.20D-08 MaxDP=1.04D-06 DE=-5.93D-11 OVMax= 4.32D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.38D-08    CP:  1.31D+00  1.04D+00  7.08D-01  8.39D-01  8.12D-01
                    CP:  7.01D-01  7.68D-01  7.10D-01  7.86D-01  7.43D-01
                    CP:  8.08D-01
 E= -767.165098185838     Delta-E=       -0.000000000077 Rises=F Damp=F
 DIIS: error= 1.34D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -767.165098185838     IErMin=12 ErrMin= 1.34D-08
 ErrMax= 1.34D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.33D-13 BMatP= 1.80D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.492D-06 0.636D-06 0.131D-05-0.892D-04-0.411D-03-0.811D-03
 Coeff-Com: -0.692D-03 0.117D-03 0.220D-01 0.743D-01 0.344D+00 0.562D+00
 Coeff:      0.492D-06 0.636D-06 0.131D-05-0.892D-04-0.411D-03-0.811D-03
 Coeff:     -0.692D-03 0.117D-03 0.220D-01 0.743D-01 0.344D+00 0.562D+00
 Gap=     0.160 Goal=   None    Shift=    0.000
 RMSDP=6.65D-09 MaxDP=2.44D-07 DE=-7.73D-11 OVMax= 1.44D-07

 SCF Done:  E(RB3LYP) =  -767.165098186     A.U. after   12 cycles
            NFock= 12  Conv=0.67D-08     -V/T= 2.0107
 KE= 7.590758063832D+02 PE=-4.051502244858D+03 EE= 1.390860768896D+03
 Leave Link  502 at Thu Aug 12 20:46:17 2021, MaxMem=  5368709120 cpu:            1617.8 elap:             202.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   461
 NBasis=   461 NAE=    61 NBE=    61 NFC=     0 NFV=     0
 NROrb=    461 NOA=    61 NOB=    61 NVA=   400 NVB=   400

 **** Warning!!: The largest alpha MO coefficient is  0.60036188D+02

 Leave Link  801 at Thu Aug 12 20:46:18 2021, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         9484 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          31
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 4.07D-13 8.33D-09 XBig12= 1.00D+00 6.80D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 4.07D-13 8.33D-09 XBig12= 4.47D-01 1.48D-01.
     11 vectors produced by pass  2 Test12= 4.07D-13 8.33D-09 XBig12= 1.09D-01 1.31D-01.
     11 vectors produced by pass  3 Test12= 4.07D-13 8.33D-09 XBig12= 3.00D-02 5.09D-02.
     11 vectors produced by pass  4 Test12= 4.07D-13 8.33D-09 XBig12= 1.19D-02 3.19D-02.
     11 vectors produced by pass  5 Test12= 4.07D-13 8.33D-09 XBig12= 7.58D-04 4.68D-03.
     11 vectors produced by pass  6 Test12= 4.07D-13 8.33D-09 XBig12= 3.46D-05 8.79D-04.
     11 vectors produced by pass  7 Test12= 4.07D-13 8.33D-09 XBig12= 1.25D-06 1.77D-04.
     11 vectors produced by pass  8 Test12= 4.07D-13 8.33D-09 XBig12= 3.48D-08 2.75D-05.
     11 vectors produced by pass  9 Test12= 4.07D-13 8.33D-09 XBig12= 8.71D-10 4.56D-06.
     10 vectors produced by pass 10 Test12= 4.07D-13 8.33D-09 XBig12= 2.42D-11 8.56D-07.
      7 vectors produced by pass 11 Test12= 4.07D-13 8.33D-09 XBig12= 4.78D-13 1.17D-07.
      1 vectors produced by pass 12 Test12= 4.07D-13 8.33D-09 XBig12= 1.06D-14 1.69D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.28D-13
 Solved reduced A of dimension   128 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.309086D+03
      2 -0.188824D+02  0.177880D+03
      3 -0.810287D+01 -0.116687D+02  0.121264D+03
 Isotropic polarizability for W=    0.088559      202.74 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.389734D+03 -0.194041D+03  0.196625D+02
      2  -0.190820D+03  0.151286D+03 -0.507261D+02
      3  -0.198913D+03  0.427554D+02  0.310636D+02
      4  -0.121933D+03  0.102911D+03 -0.468500D+02
      5   0.806332D+02 -0.565894D+02 -0.603804D+02
      6  -0.203206D+02  0.138365D+02 -0.622031D+01
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.647459D+01  0.201925D+02 -0.197487D+01
      2  -0.108070D+01 -0.166630D+02 -0.305384D+02
      3   0.139514D+03 -0.553790D+02  0.207282D+02
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.973937D+01  0.645626D+02  0.489757D+02
      2  -0.609706D+02 -0.265294D+02  0.138533D+03
      3   0.721078D+02 -0.293732D+03  0.362687D+02
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.402233D+00 -0.432894D+01 -0.192495D+02
      2  -0.432894D+01  0.494456D+00  0.207951D+01
      3  -0.192495D+02  0.207951D+01 -0.250160D+01
 OR G Eigenvalues:   -20.8334    -0.5378    18.9619  Iso=     0.8031
 Eigenvectors:
   (1)   0.691903   0.070376   0.718553
   (2)   0.126684   0.967964  -0.216790
   (3)   0.710790  -0.241027  -0.660821
 w=    0.088559 a.u., Optical Rotation Beta=      0.8031 au.
 Molar Mass =    230.2628 grams/mole, [Alpha] ( 5145.0 A) =      176.86 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  106491 ScalPx= 5.49D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  106491 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.85D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 6.78D-14 2.78D-09 XBig12= 1.00D+00 3.94D-01.
     30 vectors produced by pass  1 Test12= 6.78D-14 2.78D-09 XBig12= 1.12D-01 1.52D-01.
     30 vectors produced by pass  2 Test12= 6.78D-14 2.78D-09 XBig12= 5.03D-03 1.94D-02.
     30 vectors produced by pass  3 Test12= 6.78D-14 2.78D-09 XBig12= 1.91D-04 1.76D-03.
     30 vectors produced by pass  4 Test12= 6.78D-14 2.78D-09 XBig12= 4.60D-06 2.72D-04.
     30 vectors produced by pass  5 Test12= 6.78D-14 2.78D-09 XBig12= 4.47D-08 1.94D-05.
     30 vectors produced by pass  6 Test12= 6.78D-14 2.78D-09 XBig12= 2.70D-10 1.60D-06.
     30 vectors produced by pass  7 Test12= 6.78D-14 2.78D-09 XBig12= 1.79D-12 1.41D-07.
      6 vectors produced by pass  8 Test12= 6.78D-14 2.78D-09 XBig12= 7.35D-15 6.34D-09.
      5 vectors produced by pass  9 Test12= 6.78D-14 2.78D-09 XBig12= 4.04D-14 2.03D-08.
      2 vectors produced by pass 10 Test12= 6.78D-14 2.78D-09 XBig12= 3.06D-14 1.99D-08.
      1 vectors produced by pass 11 Test12= 6.78D-14 2.78D-09 XBig12= 7.40D-16 2.80D-09.
      1 vectors produced by pass 12 Test12= 6.78D-14 2.78D-09 XBig12= 1.01D-15 3.11D-09.
      1 vectors produced by pass 13 Test12= 6.78D-14 2.78D-09 XBig12= 1.90D-15 3.16D-09.
      1 vectors produced by pass 14 Test12= 6.78D-14 2.78D-09 XBig12= 1.48D-15 2.91D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.89D-15
 Solved reduced A of dimension   257 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  106491 ScalPx= 2.20D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  106491 ScalPx= 2.20D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  106491 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 2.14D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.309086D+03 -0.188824D+02 -0.810287D+01
      2  -0.188824D+02  0.177880D+03 -0.116687D+02
      3  -0.810287D+01 -0.116687D+02  0.121264D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.647459D+01  0.201925D+02 -0.197487D+01
      2  -0.108070D+01 -0.166630D+02 -0.305384D+02
      3   0.139514D+03 -0.553790D+02  0.207282D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.389734D+03 -0.194041D+03  0.196625D+02
      2  -0.190820D+03  0.151286D+03 -0.507261D+02
      3  -0.198913D+03  0.427554D+02  0.310636D+02
      4  -0.121933D+03  0.102911D+03 -0.468500D+02
      5   0.806332D+02 -0.565894D+02 -0.603804D+02
      6  -0.203206D+02  0.138365D+02 -0.622031D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.442850D+02  0.130977D+02 -0.999017D+00 -0.368892D+02  0.662245D+01
      2   0.130977D+02 -0.776549D+01  0.109662D+01  0.662245D+01 -0.571242D+01
      3  -0.999017D+00  0.109662D+01  0.249831D-01  0.255308D+00  0.819159D+00
                 6             7             8             9            10 
      1   0.255308D+00  0.121206D+02 -0.281792D+01 -0.100762D+01  0.417787D+02
      2   0.819159D+00 -0.281792D+01  0.147807D+01 -0.998004D+00 -0.137264D+02
      3  -0.135459D+00 -0.100762D+01 -0.998004D+00  0.631865D+00  0.108894D+01
                11            12            13            14            15 
      1  -0.137264D+02  0.108894D+01  0.399405D+02 -0.736688D+01 -0.221629D+00
      2   0.446589D+01 -0.234856D+00 -0.736688D+01  0.774109D+01 -0.125072D+01
      3  -0.234856D+00  0.670148D-01 -0.221629D+00 -0.125072D+01  0.188733D+00
                16            17            18            19            20 
      1  -0.123604D+02  0.290493D+01  0.809415D+00  0.464670D+02 -0.131086D+02
      2   0.290493D+01 -0.175309D+01  0.106895D+01 -0.131086D+02  0.114664D+02
      3   0.809415D+00  0.106895D+01 -0.425183D+00  0.119974D+01 -0.208273D+01
                21            22            23            24            25 
      1   0.119974D+01 -0.257152D+02  0.466631D+01 -0.635096D+00  0.483142D+01
      2  -0.208273D+01  0.466631D+01 -0.836356D+01  0.388761D+00 -0.900900D+00
      3   0.754075D+00 -0.635096D+00  0.388761D+00 -0.185604D+01 -0.644747D+00
                26            27            28            29            30 
      1  -0.900900D+00 -0.644747D+00 -0.564677D+02  0.734305D+01  0.366803D+00
      2  -0.253492D+00 -0.314977D+01  0.734305D+01 -0.531429D+01  0.116589D+00
      3  -0.314977D+01  0.221914D+01  0.366803D+00  0.116589D+00 -0.227625D+01
                31            32            33            34            35 
      1   0.886757D+01 -0.409114D+01 -0.793740D+00 -0.465828D+01 -0.542688D+00
      2  -0.409114D+01  0.174941D+02 -0.374038D+01 -0.542688D+00 -0.313706D+01
      3  -0.793740D+00 -0.374038D+01  0.874342D+00 -0.697115D+01  0.173279D+01
                36            37            38            39            40 
      1  -0.697115D+01  0.675889D+00 -0.243677D+01  0.575425D+00  0.144467D+02
      2   0.173279D+01 -0.243677D+01 -0.144347D+02  0.334406D+01 -0.168952D+01
      3   0.156118D+00  0.575425D+00  0.334406D+01 -0.237787D+01 -0.112605D+01
                41            42            43            44            45 
      1  -0.168952D+01 -0.112605D+01 -0.397790D+01 -0.777688D+00 -0.539753D+01
      2  -0.633008D+01  0.276924D+01 -0.777688D+00  0.378069D+01  0.211018D+01
      3   0.276924D+01  0.935159D+00 -0.539753D+01  0.211018D+01 -0.953785D+00
                46            47            48            49            50 
      1   0.526191D+01  0.250109D+01 -0.825463D+00  0.238364D+01 -0.466078D+01
      2   0.250109D+01  0.996535D+01 -0.182597D+01 -0.466078D+01  0.123080D+01
      3  -0.825463D+00 -0.182597D+01  0.182576D+01  0.134623D+01  0.143399D+01
                51            52            53            54            55 
      1   0.134623D+01 -0.490549D+00  0.129405D+01  0.792188D+00 -0.203699D+01
      2   0.143399D+01  0.129405D+01  0.138283D+01  0.412642D+01 -0.339185D+01
      3   0.632138D+00  0.792188D+00  0.412642D+01 -0.251375D+01  0.889590D+00
                56            57            58            59            60 
      1  -0.339185D+01  0.889590D+00 -0.259083D+01  0.442870D+01 -0.125312D+01
      2  -0.525393D+01  0.877871D+00  0.442870D+01 -0.285494D+01 -0.854619D+00
      3   0.877871D+00 -0.179944D+01 -0.125312D+01 -0.854619D+00 -0.650817D+00
                61            62            63            64            65 
      1   0.525244D+00 -0.130855D+01 -0.291947D+00 -0.162852D+01 -0.222110D+01
      2  -0.130855D+01 -0.926803D+00 -0.372927D+01 -0.222110D+01 -0.112210D+01
      3  -0.291947D+00 -0.372927D+01  0.245722D+01  0.603397D+00  0.307202D+00
                66            67            68            69            70 
      1   0.603397D+00 -0.289731D+01 -0.283194D+01  0.862128D+00  0.953728D+00
      2   0.307202D+00 -0.283194D+01 -0.529582D+01  0.132026D+01  0.870913D+00
      3  -0.368421D+00  0.862128D+00  0.132026D+01 -0.108282D+01 -0.282111D+00
                71            72            73            74            75 
      1   0.870913D+00 -0.282111D+00 -0.567673D+01  0.364156D+01 -0.494871D+00
      2   0.134132D+01 -0.428772D+00  0.364156D+01 -0.372333D+01  0.600190D+00
      3  -0.428772D+00  0.356125D+00 -0.494871D+00  0.600190D+00 -0.473656D+00
                76            77            78            79            80 
      1   0.409364D+01 -0.483202D+01  0.100416D+01 -0.635794D+00  0.108008D+01
      2  -0.483202D+01  0.676069D+01 -0.105741D+01  0.108008D+01 -0.124506D+01
      3   0.100416D+01 -0.105741D+01  0.843550D+00  0.231121D+00  0.499155D+00
                81            82            83            84            85 
      1   0.231121D+00  0.108559D+01  0.192105D+01 -0.514132D+00  0.830008D+00
      2   0.499155D+00  0.192105D+01  0.284473D+01 -0.734780D+00  0.189334D+01
      3  -0.340243D+00 -0.514132D+00 -0.734780D+00  0.425194D+00 -0.419477D+00
                86            87            88            89            90 
      1   0.189334D+01 -0.419477D+00 -0.209782D+00 -0.478788D+00  0.209028D+00
      2   0.101178D+02 -0.231661D+01 -0.478788D+00 -0.264294D+01  0.695641D+00
      3  -0.231661D+01  0.138495D+01  0.209028D+00  0.695641D+00 -0.431414D+00
                91            92            93            94            95 
      1   0.193213D+02 -0.210953D+01  0.241016D+00  0.673554D+01  0.124595D+01
      2  -0.210953D+01  0.195040D+01  0.766305D+00  0.124595D+01 -0.256493D+01
      3   0.241016D+00  0.766305D+00  0.283493D+01  0.789196D+00  0.227196D+01
                96            97            98            99           100 
      1   0.789196D+00 -0.385770D+01  0.181117D+01  0.842199D+01  0.977134D+01
      2   0.227196D+01  0.181117D+01  0.194721D+01 -0.261338D+00  0.304641D+00
      3   0.930915D+00  0.842199D+01 -0.261338D+00 -0.196659D+01 -0.239087D+01
               101           102           103           104           105 
      1   0.304641D+00 -0.239087D+01 -0.990023D+00 -0.188080D+01 -0.308152D+00
      2  -0.181348D+01 -0.405927D+00 -0.188080D+01 -0.111454D+00 -0.377304D+01
      3  -0.405927D+00 -0.208389D+01 -0.308152D+00 -0.377304D+01 -0.821790D+00
               106           107           108           109           110 
      1   0.696688D+01 -0.989260D+00 -0.554797D+01  0.598161D+01  0.404452D+01
      2  -0.989260D+00 -0.247843D+01 -0.134615D+00  0.404452D+01  0.179602D+01
      3  -0.554797D+01 -0.134615D+00  0.307332D+01 -0.152254D+01 -0.565616D+00
               111           112           113           114           115 
      1  -0.152254D+01  0.847461D+00  0.182528D+01 -0.133510D+01 -0.951074D+01
      2  -0.565616D+00  0.182528D+01  0.800692D+00 -0.113027D+01 -0.231029D+01
      3  -0.876364D+00 -0.133510D+01 -0.113027D+01 -0.135587D+00 -0.395260D+01
               116           117           118           119           120 
      1  -0.231029D+01 -0.395260D+01 -0.146959D+01  0.241056D+01 -0.883462D+00
      2  -0.194524D+01 -0.108199D+00  0.241056D+01 -0.201739D+01  0.114811D+00
      3  -0.108199D+00  0.490698D+00 -0.883462D+00  0.114811D+00 -0.131670D+01
               121           122           123           124           125 
      1   0.466647D+01 -0.224308D+01  0.259134D+00 -0.160208D+01  0.205351D+00
      2  -0.224308D+01  0.520036D+01 -0.119171D+01  0.205351D+00 -0.156602D+01
      3   0.259134D+00 -0.119171D+01  0.140858D+01 -0.162072D+01  0.114483D+01
               126           127           128           129           130 
      1  -0.162072D+01  0.418829D+00 -0.671679D+00  0.237238D+00 -0.188740D+01
      2   0.114483D+01 -0.671679D+00  0.904777D+00 -0.405028D+00  0.196953D+00
      3  -0.690031D+00  0.237238D+00 -0.405028D+00  0.161053D+01  0.393865D+00
               131           132           133           134           135 
      1   0.196953D+00  0.393865D+00  0.316337D+00 -0.156237D-02  0.348910D+00
      2  -0.324842D+01  0.217606D+01 -0.156237D-02  0.163812D+01 -0.133665D+01
      3   0.217606D+01 -0.272115D+01  0.348910D+00 -0.133665D+01  0.222923D+01
               136           137           138           139           140 
      1  -0.166253D+02  0.202391D+00  0.416330D+01 -0.712680D+00 -0.117774D+01
      2   0.202391D+00 -0.811049D+00 -0.239853D+00 -0.117774D+01 -0.855681D-01
      3   0.416330D+01 -0.239853D+00 -0.254841D+01  0.256151D-01  0.709133D+00
               141           142           143           144           145 
      1   0.256151D-01  0.145281D+01  0.159722D+00 -0.131769D+01 -0.476952D+00
      2   0.709133D+00  0.159722D+00  0.109770D+00 -0.369826D-01  0.803126D+00
      3  -0.139570D+00 -0.131769D+01 -0.369826D-01  0.448192D+00  0.692970D+00
               146           147           148           149           150 
      1   0.803126D+00  0.692970D+00  0.136769D+01  0.344572D-01 -0.446220D+00
      2   0.984871D+00  0.705787D+00  0.344572D-01  0.391311D+01  0.311290D+01
      3   0.705787D+00  0.156263D+01 -0.446220D+00  0.311290D+01  0.360087D+01
               151           152           153           154           155 
      1  -0.231693D-01 -0.588504D-01  0.120009D+00 -0.164499D+02 -0.522918D+01
      2  -0.588504D-01  0.215806D+01  0.230579D+01 -0.522918D+01 -0.315919D+01
      3   0.120009D+00  0.230579D+01  0.365811D+01  0.100557D+01 -0.240514D+00
               156           157           158           159           160 
      1   0.100557D+01 -0.894138D+01 -0.607080D+01  0.674233D+00  0.184039D+01
      2  -0.240514D+00 -0.607080D+01 -0.518865D+01  0.629676D+00  0.896413D+00
      3  -0.245104D+01  0.674233D+00  0.629676D+00 -0.153400D+01 -0.219231D+01
               161           162           163           164           165 
      1   0.896413D+00 -0.219231D+01 -0.125015D+02 -0.369153D+01 -0.303062D+01
      2   0.134528D+01 -0.120796D+01 -0.369153D+01 -0.653591D+00 -0.205788D-01
      3  -0.120796D+01  0.175833D+01 -0.303062D+01 -0.205788D-01 -0.124511D+01
               166           167           168           169           170 
      1  -0.813251D+01 -0.157106D+01 -0.118556D+01  0.210998D+01  0.459527D+00
      2  -0.157106D+01 -0.131340D+01 -0.183310D+01  0.459527D+00 -0.239543D+00
      3  -0.118556D+01 -0.183310D+01 -0.251128D+01 -0.646267D+00 -0.145207D+01
               171           172           173           174           175 
      1  -0.646267D+00  0.101053D+02  0.302858D+01  0.112097D+01  0.913270D+01
      2  -0.145207D+01  0.302858D+01  0.102220D+01  0.581251D+00  0.159695D+01
      3  -0.681218D+01  0.112097D+01  0.581251D+00  0.277138D+01  0.152614D+01
               176           177           178           179           180 
      1   0.159695D+01  0.152614D+01  0.395120D+01  0.646990D+00  0.168442D+01
      2   0.641192D+00 -0.381788D+00  0.646990D+00 -0.930562D+00  0.652695D+00
      3  -0.381788D+00  0.179024D+01  0.168442D+01  0.652695D+00 -0.155682D+01
               181           182           183           184           185 
      1   0.299376D+01  0.195451D+01 -0.339866D+00 -0.160744D+02  0.420764D+01
      2   0.195451D+01  0.102460D+02 -0.246639D+01  0.420764D+01  0.265227D+01
      3  -0.339866D+00 -0.246639D+01  0.235772D+01  0.802381D+00 -0.201521D+01
               186           187           188           189           190 
      1   0.802381D+00  0.413063D+01 -0.354552D+00  0.395362D+01  0.369704D+02
      2  -0.201521D+01 -0.354552D+00 -0.284546D+01 -0.236160D+01 -0.879338D+01
      3  -0.812657D+00  0.395362D+01 -0.236160D+01  0.102276D+01  0.650641D+00
               191           192           193           194           195 
      1  -0.879338D+01  0.650641D+00 -0.429059D+01  0.399189D+01  0.977799D+00
      2   0.978977D+01 -0.131627D+01  0.399189D+01 -0.141630D+02  0.294561D+01
      3  -0.131627D+01  0.286211D+01  0.977799D+00  0.294561D+01 -0.768924D+00
               196           197           198           199           200 
      1  -0.383189D+00  0.126164D+01  0.688082D+01 -0.381653D+02  0.141435D+02
      2   0.126164D+01  0.212312D+01 -0.204209D+01  0.141435D+02 -0.965140D+01
      3   0.688082D+01 -0.204209D+01 -0.130794D+00 -0.128101D+01  0.183573D+01
               201           202           203           204           205 
      1  -0.128101D+01  0.206117D+02 -0.676737D+01  0.775774D+00 -0.244714D+01
      2   0.183573D+01 -0.676737D+01  0.837615D+01 -0.791047D-01  0.121487D+01
      3  -0.530533D+00  0.775774D+00 -0.791047D-01  0.156841D+01  0.580367D+00
               206           207           208           209           210 
      1   0.121487D+01  0.580367D+00 -0.742236D+01  0.511492D+01 -0.818287D+00
      2   0.836328D+00  0.422975D+01  0.511492D+01 -0.448636D+01  0.881450D+00
      3   0.422975D+01 -0.270181D+01 -0.818287D+00  0.881450D+00  0.944849D-01
               211           212           213           214           215 
      1  -0.172460D+01  0.349140D+01 -0.755961D+00  0.949234D+00 -0.107278D+01
      2   0.349140D+01  0.853400D+00 -0.484250D+00 -0.107278D+01  0.432118D+00
      3  -0.755961D+00 -0.484250D+00 -0.874703D+00  0.461291D+00  0.728312D+00
               216           217           218           219           220 
      1   0.461291D+00  0.835771D+00 -0.500227D+01  0.105014D+01 -0.320821D+01
      2   0.728312D+00 -0.500227D+01  0.243117D+01  0.951559D-01 -0.197439D+01
      3  -0.171832D+00  0.105014D+01  0.951559D-01  0.576759D-01  0.481262D+00
               221           222           223           224           225 
      1  -0.197439D+01  0.481262D+00  0.413090D+00  0.531514D+00 -0.268362D+01
      2   0.263146D+01  0.211301D+01  0.531514D+00  0.156792D+01  0.412323D+01
      3   0.211301D+01  0.525990D+01 -0.268362D+01  0.412323D+01 -0.334990D+01
               226           227           228           229           230 
      1  -0.660975D+00 -0.169322D+01  0.449691D+00 -0.443664D+00 -0.125107D+01
      2  -0.169322D+01 -0.244590D+01  0.646213D+00 -0.125107D+01 -0.877643D+01
      3   0.449691D+00  0.646213D+00 -0.392559D+00  0.302582D+00  0.201181D+01
               231           232           233           234           235 
      1   0.302582D+00  0.179496D+00  0.423771D+00 -0.362952D-01  0.590842D+01
      2   0.201181D+01  0.423771D+00  0.221700D+01 -0.631420D+00 -0.320771D+01
      3  -0.128985D+01 -0.362952D-01 -0.631420D+00  0.400980D+00  0.390301D+00
               236           237           238           239           240 
      1  -0.320771D+01  0.390301D+00 -0.473460D+01  0.461176D+01 -0.974980D+00
      2   0.283169D+01 -0.442118D+00  0.461176D+01 -0.573814D+01  0.954031D+00
      3  -0.442118D+00  0.309606D+00 -0.974980D+00  0.954031D+00 -0.732153D+00
               241           242           243           244           245 
      1   0.717923D+00 -0.101454D+01 -0.249031D+00  0.209300D+01  0.292219D+01
      2  -0.101454D+01  0.116133D+01 -0.277497D+00  0.292219D+01  0.225791D+01
      3  -0.249031D+00 -0.277497D+00  0.257163D+00 -0.797891D+00 -0.625853D+00
               246           247           248           249           250 
      1  -0.797891D+00  0.363404D+01  0.371381D+01 -0.997328D+00 -0.974535D+00
      2  -0.625853D+00  0.371381D+01  0.710621D+01 -0.171501D+01 -0.100939D+01
      3   0.563076D+00 -0.997328D+00 -0.171501D+01  0.129149D+01  0.551965D+00
               251           252           253           254           255 
      1  -0.100939D+01  0.551965D+00 -0.882372D+00  0.433757D-01 -0.844827D+00
      2  -0.181806D+01  0.538934D+00  0.433757D-01 -0.699704D+00 -0.284759D-01
      3   0.538934D+00 -0.434464D+00 -0.844827D+00 -0.284759D-01 -0.519480D+00
               256           257           258           259           260 
      1  -0.269379D+01  0.286761D+01  0.146835D+01 -0.369010D+01  0.191640D+01
      2   0.286761D+01 -0.513295D+01 -0.290389D+01  0.191640D+01 -0.308438D+01
      3   0.146835D+01 -0.290389D+01 -0.272829D+01  0.220480D+01 -0.296240D+01
               261           262           263           264           265 
      1   0.220480D+01 -0.321854D-01  0.234449D+00  0.117857D+01 -0.894977D+00
      2  -0.296240D+01  0.234449D+00 -0.491241D+00 -0.262720D+00  0.150567D+01
      3  -0.306736D+01  0.117857D+01 -0.262720D+00 -0.180850D-01 -0.120617D+01
               266           267           268           269           270 
      1   0.150567D+01 -0.120617D+01  0.540288D+01 -0.195187D+01  0.380761D+01
      2  -0.177970D+01  0.145843D+01 -0.195187D+01  0.180415D+01 -0.266541D+01
      3   0.145843D+01 -0.221134D+01  0.380761D+01 -0.266541D+01  0.661333D+01
               271           272           273           274           275 
      1   0.151125D+02  0.157201D+01 -0.116145D+01  0.526370D+01  0.150844D+01
      2   0.157201D+01  0.886039D+00 -0.715541D-01  0.150844D+01  0.114010D+01
      3  -0.116145D+01 -0.715541D-01  0.115664D+01 -0.285579D+00 -0.386913D+00
               276           277           278           279 
      1  -0.285579D+00 -0.204055D+01 -0.877103D-01  0.178405D+01
      2  -0.386913D+00 -0.877103D-01 -0.457180D+00 -0.172631D+00
      3   0.297133D+00  0.178405D+01 -0.172631D+00 -0.226426D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.217498D+01  0.287473D+01  0.159322D+00  0.217796D+01 -0.876021D+00
      2   0.197349D+01  0.101036D+02 -0.108938D+01  0.704366D+01 -0.737504D+01
      3  -0.231602D+02  0.464594D+02 -0.107072D+02  0.225282D+02 -0.303855D+02
                 6             7             8             9            10 
      1  -0.149686D+00 -0.508800D+01  0.787571D+01 -0.189356D+01 -0.479490D+00
      2   0.196782D+01 -0.209130D+02  0.402691D+01 -0.149555D+00 -0.250140D+01
      3   0.622614D+01  0.193351D+01  0.309729D+01 -0.426632D+00  0.308421D+02
                11            12            13            14            15 
      1   0.335629D+01 -0.119724D+01  0.159593D+00  0.646015D+00  0.631328D-01
      2   0.102175D+02 -0.599242D+01  0.641181D+01 -0.659467D+01  0.138986D+01
      3   0.359724D+02 -0.960007D+01  0.755969D+02 -0.345750D+02  0.409932D+01
                16            17            18            19            20 
      1  -0.520089D+01  0.699632D+01 -0.154865D+01 -0.305928D+01 -0.100075D+01
      2  -0.237319D+02  0.380011D+01  0.667613D+00 -0.512612D+01 -0.870128D+01
      3  -0.147082D+02  0.504785D+01 -0.621468D+00  0.225901D+02 -0.439777D+02
                21            22            23            24            25 
      1   0.778140D-01 -0.117402D+01  0.535021D-01 -0.105746D+01 -0.678581D+01
      2   0.962508D+00 -0.225394D+01  0.322158D+01  0.942430D+00 -0.200710D+02
      3   0.103601D+02 -0.132224D+02  0.606069D+01 -0.258934D+01  0.905818D+01
                26            27            28            29            30 
      1   0.322566D+01 -0.116134D+01 -0.105099D+01  0.183843D+01  0.666488D+00
      2   0.883872D+01 -0.183295D+01  0.384620D+00  0.395005D+01  0.836321D+00
      3  -0.248737D+01 -0.141674D+01 -0.469432D+02  0.162340D+02 -0.237893D+01
                31            32            33            34            35 
      1   0.594148D+01  0.532344D+01  0.113446D+00  0.388434D+01  0.144599D+02
      2   0.437790D+01 -0.143708D+01  0.260817D+00 -0.145068D+02  0.160922D+01
      3   0.377599D+02 -0.116445D+02  0.674110D-01 -0.486308D+01 -0.137455D+01
                36            37            38            39            40 
      1  -0.313452D+01 -0.504217D+00  0.505732D+00  0.524273D+01  0.278014D+01
      2   0.245768D+00 -0.567233D+01  0.129311D+01  0.793524D+00 -0.315667D+01
      3  -0.385988D+01 -0.171275D+02  0.531813D+01 -0.150794D+01  0.108556D+02
                41            42            43            44            45 
      1  -0.561611D+00 -0.210042D+01  0.190487D+02  0.440750D+01 -0.143224D+01
      2  -0.366860D+01 -0.139643D+01 -0.733041D+01 -0.787696D+01  0.229980D+01
      3  -0.207001D+01 -0.113818D+01 -0.430585D+01 -0.521195D-02 -0.808623D+01
                46            47            48            49            50 
      1   0.509878D+00 -0.283850D+01 -0.474509D+01 -0.314432D+01 -0.349437D+00
      2   0.855901D+01 -0.781548D+01  0.243457D+01 -0.748895D+01  0.778983D+01
      3   0.373052D+02 -0.325641D+02  0.644212D+01 -0.105050D+02  0.281764D+02
                51            52            53            54            55 
      1  -0.246244D+01 -0.957097D+01 -0.557824D+01  0.400777D+01  0.987591D+00
      2  -0.154643D+01 -0.159428D+02 -0.728603D+00  0.213575D+01  0.747950D+01
      3  -0.469993D+01  0.523366D+01 -0.350168D+01  0.597868D+01  0.390781D+02
                56            57            58            59            60 
      1  -0.418468D+01 -0.314884D+01 -0.154326D+01  0.661735D+00 -0.148801D+01
      2  -0.965302D+01 -0.228263D+01 -0.737947D+01  0.690609D+01 -0.250351D+01
      3  -0.369126D+02  0.883958D+01 -0.883231D+01  0.359676D+02 -0.520512D+01
                61            62            63            64            65 
      1  -0.791431D+01 -0.355330D+01  0.202748D+01 -0.291371D+00 -0.527173D+00
      2  -0.221014D+02 -0.330864D+01  0.579376D+01  0.814221D+00  0.724439D+00
      3   0.688048D+01 -0.290556D+01  0.112597D+02  0.814474D+00 -0.806752D-01
                66            67            68            69            70 
      1  -0.132019D+01 -0.806320D+00 -0.162170D+01 -0.277921D+01 -0.618290D+00
      2   0.214488D+00  0.106443D+01 -0.532137D+00  0.177045D+01 -0.215186D+01
      3   0.131733D+00  0.291424D+01 -0.556122D+01  0.135942D+01 -0.100735D-01
                71            72            73            74            75 
      1   0.252193D+01  0.398819D+00 -0.383901D+00  0.326338D+00  0.240256D+01
      2  -0.103946D+01  0.839146D-01 -0.158174D+01  0.101187D+00  0.177231D+01
      3   0.141953D+01  0.424054D+00 -0.103109D+02  0.168693D+01 -0.208813D+00
                76            77            78            79            80 
      1  -0.131958D+01  0.366879D+00 -0.357982D+01 -0.313382D+01  0.100718D+01
      2  -0.418762D+00  0.351775D+00 -0.240961D+01 -0.192415D+01 -0.242755D+00
      3   0.399154D+01  0.621357D+00  0.803521D+00  0.399346D+00 -0.187571D+00
                81            82            83            84            85 
      1   0.679719D+00  0.670779D+00  0.383147D+00 -0.178657D+01  0.565655D+00
      2   0.878133D+00  0.124694D+01  0.723778D+00  0.619634D+00  0.930392D+00
      3   0.142103D+01  0.593014D+01  0.320572D+01 -0.130451D+01  0.497919D+01
                86            87            88            89            90 
      1   0.129617D+01 -0.509230D+01  0.108955D+01  0.215198D+01  0.670756D+00
      2   0.119000D+01  0.955203D+00 -0.940132D+00  0.499652D+00 -0.729544D+00
      3   0.393119D+01 -0.148031D+01 -0.114565D+01 -0.175979D+01 -0.378689D+00
                91            92            93            94            95 
      1   0.298246D+01  0.950680D+00 -0.155413D+01  0.663962D+01  0.309809D+00
      2  -0.503068D+01 -0.213850D+01 -0.608199D+01 -0.225235D+01 -0.107118D+02
      3   0.180511D+02 -0.762602D-01  0.233380D+01  0.271609D+02 -0.161991D+02
                96            97            98            99           100 
      1  -0.222166D+01 -0.206450D+01  0.565056D+01  0.106638D+01  0.422089D+01
      2  -0.133721D+01 -0.367507D+02  0.146410D+01  0.539095D+01 -0.104633D+02
      3   0.105721D+02 -0.351750D+00  0.145749D+02  0.778399D+01  0.658821D+01
               101           102           103           104           105 
      1  -0.675169D+01  0.806733D+00 -0.238702D+01  0.366821D+00 -0.124760D+02
      2  -0.101173D+01  0.169447D+02 -0.284150D+01  0.200252D+02  0.324542D+01
      3  -0.150717D+02 -0.561668D+00 -0.937391D+01  0.178350D+01 -0.170682D+02
               106           107           108           109           110 
      1   0.328429D+01 -0.648783D+01 -0.372986D+01 -0.514034D+01  0.174611D+01
      2   0.194996D+02 -0.467266D+00 -0.664398D+01  0.119965D+02  0.581929D+01
      3   0.791981D+01 -0.159782D+02 -0.542929D+01 -0.741175D+01  0.818932D+01
               111           112           113           114           115 
      1   0.101688D+02 -0.111511D+02 -0.737691D+01 -0.516481D+01  0.993287D+01
      2   0.345314D+01  0.631983D+01  0.527424D+01 -0.111909D+02  0.677893D+01
      3  -0.797114D+01  0.624946D+01  0.195336D+02 -0.391016D+01 -0.204387D+02
               116           117           118           119           120 
      1   0.199197D+01  0.534754D+01  0.147583D+01 -0.110133D+01  0.107691D+01
      2  -0.257663D+01  0.294785D+01  0.408656D+01 -0.145633D+01  0.569951D+01
      3  -0.984814D+01 -0.479992D+01  0.976032D+01 -0.727498D+01  0.115413D+00
               121           122           123           124           125 
      1  -0.126501D+01  0.188549D+01 -0.277961D+01  0.113262D+01 -0.291677D+00
      2  -0.185562D+01  0.540858D+01 -0.545299D+01  0.352377D+01 -0.414782D+01
      3  -0.939102D+00  0.188307D+02 -0.473892D+01 -0.960548D+00 -0.652226D+01
               126           127           128           129           130 
      1   0.708358D+00 -0.275127D+01  0.320736D+01 -0.850381D+00  0.130355D+01
      2   0.265990D+01 -0.435319D+01  0.380644D+01 -0.608293D+01  0.350375D+01
      3   0.274701D+01 -0.524523D+01  0.448153D+01 -0.206776D+01  0.362961D+01
               131           132           133           134           135 
      1  -0.901475D+01  0.359255D+01 -0.265343D+00  0.527313D+01 -0.304947D+01
      2  -0.103214D+02  0.994251D+01 -0.264649D+01  0.523345D+01 -0.912383D+01
      3  -0.136770D+02  0.920164D+01  0.449818D-02  0.598027D+01 -0.556228D+01
               136           137           138           139           140 
      1  -0.284329D+01 -0.264388D+01  0.749000D+00 -0.265136D+01 -0.107757D+01
      2   0.981735D+01  0.941630D+00  0.753459D+01  0.782180D+00 -0.748646D+00
      3  -0.874080D+01 -0.601882D+01  0.125860D+01 -0.458769D+01 -0.114823D+01
               141           142           143           144           145 
      1   0.496459D+00  0.222828D-02  0.143014D+01 -0.317562D+00  0.180248D+01
      2   0.933304D+00  0.138491D+01  0.102060D+01  0.599024D+00 -0.404778D+01
      3   0.249843D+01 -0.512954D+00  0.295666D+01 -0.129187D+01  0.311174D+01
               146           147           148           149           150 
      1   0.299972D+01  0.168324D+00  0.175272D+01  0.787861D+01  0.284848D+01
      2  -0.409042D+01 -0.661189D+01 -0.210597D+01 -0.129317D+02 -0.130995D+02
      3   0.447189D+01  0.256660D+01  0.334676D+01  0.144562D+02  0.109259D+02
               151           152           153           154           155 
      1  -0.502473D+00  0.516505D+01  0.280303D+01  0.459301D+01  0.197425D+00
      2  -0.342895D+01 -0.903979D+01 -0.139100D+02 -0.111916D+02 -0.176718D+01
      3  -0.816816D+00  0.800024D+01  0.840375D+01 -0.798716D+01 -0.211116D+02
               156           157           158           159           160 
      1  -0.700564D+01  0.731815D+01  0.474146D+01 -0.532703D+01 -0.413595D+01
      2   0.187262D+02 -0.136632D+01 -0.562156D+01  0.131564D+02  0.506355D+01
      3  -0.139052D+00 -0.191079D+02 -0.281060D+02  0.174802D+01  0.512856D+01
               161           162           163           164           165 
      1   0.783551D+00  0.262810D+01  0.646954D+01  0.353090D+01 -0.374141D+01
      2   0.411587D+01 -0.104532D+02 -0.134392D+02 -0.648069D+01  0.303563D+01
      3   0.674335D+01 -0.300419D+01 -0.104172D+02 -0.449473D+01  0.124975D+01
               166           167           168           169           170 
      1   0.967351D+01  0.577138D+01  0.320480D+00 -0.252782D+01  0.598134D+01
      2  -0.110482D+02  0.424238D+01  0.998668D+01 -0.477771D+00  0.519522D+01
      3  -0.253759D+01 -0.645693D+01 -0.101113D+02  0.718971D+01 -0.225092D+01
               171           172           173           174           175 
      1  -0.426063D+01 -0.855237D+01 -0.411402D+01  0.146260D+01 -0.108315D+02
      2   0.218733D+02  0.211489D+02  0.490676D+01 -0.758034D+01  0.108954D+02
      3  -0.458385D+01  0.253219D+01  0.298438D+01  0.291918D+01  0.107450D+02
               176           177           178           179           180 
      1  -0.457627D+01 -0.107614D+01  0.110607D+01  0.325954D+00 -0.130563D+01
      2   0.444099D+01 -0.528425D+01 -0.349524D+01 -0.126845D+01  0.665478D+01
      3   0.165186D+01  0.142798D+01  0.261538D+01  0.124900D+01  0.366644D+00
               181           182           183           184           185 
      1  -0.278388D-01  0.343470D+01  0.389979D+01  0.237449D+01  0.719448D+00
      2  -0.624873D+01  0.245604D+01  0.590204D+01 -0.455242D+01 -0.605403D+01
      3  -0.248189D+02  0.834680D+01 -0.240257D+01 -0.240111D+02 -0.797155D+01
               186           187           188           189           190 
      1  -0.235605D+01  0.116727D+02  0.503824D+01 -0.247677D+01 -0.139219D+01
      2  -0.114478D+01 -0.465288D+01 -0.107169D+02  0.235590D+01 -0.469143D+01
      3   0.411824D+01  0.781854D+01  0.389467D+01 -0.168704D+01  0.828207D+01
               191           192           193           194           195 
      1   0.299954D+01 -0.252017D+01  0.305565D+01  0.151139D+01  0.210298D+01
      2   0.547019D+01 -0.316300D+01  0.128844D+02 -0.281530D+01 -0.485852D+00
      3   0.184967D+02 -0.400892D+01  0.478380D+02 -0.110739D+02  0.848860D+00
               196           197           198           199           200 
      1  -0.701297D+00  0.152895D+02 -0.414913D+01 -0.194795D+00 -0.300995D+01
      2  -0.140415D+01  0.295044D+01 -0.388386D+00 -0.114666D+01 -0.736168D+01
      3  -0.124251D+02  0.109976D+01  0.511139D+01 -0.310500D+02 -0.293089D+02
               201           202           203           204           205 
      1   0.110329D+01 -0.289072D+01  0.208029D+01 -0.294660D+01 -0.828880D+01
      2   0.514592D+01 -0.572334D+01  0.933173D+01  0.457224D+00 -0.149096D+02
      3   0.748820D+01  0.715368D+01  0.119663D+02 -0.593786D+01  0.435129D+01
               206           207           208           209           210 
      1   0.312176D+01  0.575255D+00  0.142219D+01 -0.273409D+01  0.331728D+01
      2   0.168942D+02 -0.649144D+01  0.248172D+01 -0.763155D+01  0.156881D+02
      3  -0.797038D+01 -0.674967D+01  0.189960D+01 -0.434554D+02  0.671540D+01
               211           212           213           214           215 
      1   0.406516D+00 -0.193536D+01 -0.480684D+01  0.172359D+01 -0.185371D+01
      2  -0.284332D+01 -0.248947D+01 -0.534627D+01 -0.527478D+01  0.342778D+01
      3  -0.551828D+01 -0.447879D+01  0.229504D+01  0.233346D+01  0.261746D+01
               216           217           218           219           220 
      1   0.134651D+01  0.509144D+00  0.117774D+01 -0.859384D+00 -0.137637D+01
      2  -0.815412D+00  0.728256D+01  0.399465D+01 -0.100951D+01  0.474293D+01
      3  -0.435027D+01  0.356862D+02  0.400192D+01 -0.543478D+01  0.246789D+02
               221           222           223           224           225 
      1   0.257406D+01  0.634306D+01 -0.133744D+02  0.965437D+01 -0.434941D+01
      2   0.875464D+01  0.331431D+02 -0.195970D+02  0.268495D+02 -0.214369D+02
      3  -0.335099D+02 -0.102519D+02 -0.516544D+01 -0.780524D+01 -0.264503D+02
               226           227           228           229           230 
      1   0.122116D+00 -0.269434D+00 -0.145782D+01  0.589186D-02 -0.842578D+00
      2   0.204715D+01  0.178639D+01 -0.241051D+00  0.140045D+01  0.440854D+01
      3   0.779199D+01  0.580965D+01 -0.190340D+01  0.536138D+01  0.172115D+02
               231           232           233           234           235 
      1  -0.396585D+01  0.711372D+00  0.293278D+01  0.303608D+00 -0.931558D+00
      2  -0.129130D+01 -0.313666D+00 -0.115293D+01  0.150501D+00 -0.212670D+01
      3  -0.440678D+01 -0.204120D+01 -0.471900D+01  0.660200D+00 -0.438893D+01
               236           237           238           239           240 
      1   0.681013D+00  0.147804D+01 -0.264920D+00 -0.620771D+00 -0.268878D+01
      2  -0.121814D+00  0.143453D+01 -0.118177D+01  0.169136D+01 -0.306547D+01
      3  -0.395971D+01  0.931045D+00 -0.472837D+01  0.130004D+02 -0.168985D+01
               241           242           243           244           245 
      1  -0.255817D+01  0.123206D+01  0.517181D+00  0.124555D+00 -0.131523D+00
      2  -0.214748D+01 -0.324360D+00  0.119292D+01 -0.136689D+01 -0.101165D+01
      3   0.236680D+01 -0.263306D+01  0.170032D+01 -0.410110D+01 -0.385176D+01
               246           247           248           249           250 
      1  -0.147940D+01  0.199879D+00 -0.372708D+00 -0.343542D+01 -0.120637D-02
      2   0.201416D+01 -0.148539D+01 -0.403492D+01  0.434749D+01 -0.125783D+01
      3   0.861269D+00 -0.279796D+01 -0.171221D+02  0.379043D+01  0.134724D+01
               251           252           253           254           255 
      1   0.169635D+01  0.586669D+00  0.425290D+00 -0.264370D+00 -0.117389D+01
      2   0.732265D+00 -0.991151D+00 -0.591943D+01 -0.432411D+00 -0.215419D+01
      3   0.436507D+01 -0.712357D+00  0.241588D+01  0.299257D+01  0.120410D+01
               256           257           258           259           260 
      1   0.155864D+01 -0.180025D+01 -0.473561D+01  0.301929D+01 -0.134714D+01
      2   0.557510D+01 -0.143783D+02 -0.157981D+02  0.909068D+01 -0.167372D+02
      3  -0.137440D+02  0.347696D+02  0.157983D+02 -0.738797D+01  0.192519D+02
               261           262           263           264           265 
      1  -0.459946D+01  0.170368D+00 -0.211788D+00 -0.422784D+00 -0.885921D+00
      2  -0.164152D+02  0.824534D+01 -0.168669D+01  0.410618D+00 -0.619864D+01
      3   0.169999D+02  0.164208D+00  0.100265D+01  0.788983D+00 -0.825624D+01
               266           267           268           269           270 
      1   0.119224D+01 -0.313825D+01  0.479071D+01 -0.296050D+00  0.788309D+01
      2   0.878690D+01 -0.133904D+02  0.172554D+02 -0.167188D+02  0.388812D+02
      3   0.144810D+02 -0.913188D+01  0.819508D+01 -0.134736D+02  0.163933D+02
               271           272           273           274           275 
      1  -0.105820D+01 -0.426676D+00  0.483256D+00 -0.170446D+00 -0.517831D+00
      2  -0.670833D+01 -0.769590D+00  0.929872D+01 -0.177958D+01 -0.210927D+01
      3  -0.217020D+02 -0.104329D+02  0.182396D+01 -0.120884D+02 -0.790432D+01
               276           277           278           279 
      1  -0.684468D+00  0.189494D+01  0.133005D+00  0.248836D-01
      2   0.224428D+01  0.883383D+01 -0.869330D+00 -0.137799D+01
      3   0.252746D+01  0.235786D+01  0.312448D+01  0.160664D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.929730D+02  0.522642D+02 -0.814653D+01 -0.784185D+02 -0.102190D+01
      2   0.492023D+02 -0.322793D+02  0.487865D+01  0.444138D+02  0.181615D+01
      3   0.437707D+02 -0.199849D+02  0.326788D+01  0.340047D+02 -0.794250D+00
      4   0.553020D+02 -0.666123D+01 -0.730063D+00 -0.634112D+01 -0.215900D+01
      5  -0.179716D+02  0.132000D+01  0.180083D+01 -0.258724D+01  0.238205D+01
      6   0.256646D+01  0.460101D+00 -0.109290D+00  0.183112D+01 -0.252606D+01
                 6             7             8             9            10 
      1   0.222593D+01  0.247430D+02 -0.579477D+01 -0.103208D+02  0.109343D+03
      2  -0.349503D+01 -0.122505D+02  0.231912D+01 -0.951617D+00 -0.531764D+02
      3   0.126910D+01 -0.124925D+02  0.347565D+01  0.112724D+02 -0.561667D+02
      4   0.131712D+01 -0.217822D+01  0.914164D+00  0.767874D+00 -0.342583D+02
      5   0.368573D+00  0.100924D+01 -0.166527D+01  0.462804D+00  0.105686D+02
      6   0.900447D+00  0.157711D+01  0.282961D+01  0.248220D+01 -0.612517D+01
                11            12            13            14            15 
      1  -0.204064D+02 -0.269864D+01  0.755968D+02 -0.286818D+02  0.882110D+00
      2   0.122815D+02  0.469172D+00 -0.347792D+02  0.244574D+02 -0.466235D+01
      3   0.812495D+01  0.222947D+01 -0.408176D+02  0.422441D+01  0.378024D+01
      4   0.559074D+01 -0.127441D+01 -0.136440D+02  0.142957D+02 -0.222897D+01
      5  -0.600083D+01 -0.588181D+01  0.777052D+01 -0.279358D+01  0.676630D+00
      6   0.146555D+01  0.132988D+01 -0.312745D+01 -0.303025D+01  0.663154D+00
                16            17            18            19            20 
      1  -0.259739D+02  0.652200D+01 -0.847414D+01  0.634403D+02 -0.589075D+02
      2   0.127275D+02 -0.578387D+01 -0.444428D+00 -0.339800D+02  0.425966D+02
      3   0.132464D+02 -0.738129D+00  0.891857D+01 -0.294603D+02  0.163109D+02
      4   0.639767D+01 -0.265013D+01  0.280228D+01 -0.542754D+02  0.555840D+01
      5  -0.213268D+01  0.313819D+01  0.907057D+00  0.201550D+02 -0.189684D+01
      6   0.417087D+01  0.450536D+01  0.207476D+01 -0.316526D+01 -0.132791D+01
                21            22            23            24            25 
      1   0.101743D+02 -0.231939D+00  0.377609D+02 -0.863883D+01 -0.434487D+01
      2  -0.746853D+01 -0.127450D+02 -0.368713D+02  0.910343D+01  0.679393D+01
      3  -0.270573D+01  0.129769D+02 -0.889603D+00 -0.464598D+00 -0.244905D+01
      4  -0.538432D+00  0.268079D+02 -0.639152D+01  0.479458D+01 -0.550527D+01
      5  -0.539108D+01 -0.105030D+02  0.671576D+01  0.732873D+01  0.415828D+01
      6   0.138993D+01  0.997118D+01  0.916835D+01  0.816467D+00  0.146499D+01
                26            27            28            29            30 
      1  -0.522315D+01 -0.669353D+01 -0.153009D+01  0.933311D+01  0.150385D+01
      2   0.891076D+01 -0.823875D+01 -0.170797D+02 -0.105154D+02  0.343660D+00
      3  -0.368760D+01  0.149323D+02  0.186098D+02  0.118228D+01 -0.184751D+01
      4   0.648246D+01  0.244445D+01  0.256393D+02  0.116660D+02  0.671948D+00
      5   0.947417D+01 -0.299507D+01 -0.216801D+02  0.352939D+01  0.110797D+02
      6   0.371457D+01  0.813615D+00  0.128487D+02 -0.280189D+00 -0.235341D+01
                31            32            33            34            35 
      1   0.281954D+02 -0.746917D+02  0.137137D+02 -0.957858D+01  0.165731D+02
      2  -0.198861D+02  0.691135D+02 -0.172790D+02  0.425794D+01 -0.167867D+02
      3  -0.830930D+01  0.557827D+01  0.356524D+01  0.532064D+01  0.213621D+00
      4  -0.417241D+02  0.538919D+01  0.196333D+01  0.216219D+02  0.807629D+00
      5   0.154656D+02  0.599643D+00 -0.140607D+01  0.336096D+02 -0.569005D+01
      6   0.146792D+01 -0.100203D+02  0.506397D+00 -0.614136D+01  0.706456D+01
                36            37            38            39            40 
      1  -0.292845D+01 -0.362841D+01  0.713529D+02 -0.174472D+02 -0.177656D+02
      2  -0.528574D+01  0.164153D+00 -0.599586D+02  0.109866D+02  0.223323D+02
      3   0.821420D+01  0.346426D+01 -0.113943D+02  0.646060D+01 -0.456675D+01
      4   0.287196D+01  0.116728D+01 -0.250285D+02  0.466494D+01  0.100446D+02
      5  -0.955471D+00  0.821432D+00  0.532435D+00  0.322504D+01  0.700134D+01
      6   0.549882D+01 -0.346408D+01  0.731376D+01 -0.111802D+02 -0.148748D+02
                41            42            43            44            45 
      1   0.334665D+02 -0.117380D+02  0.698010D+01 -0.168822D+02 -0.101708D+02
      2  -0.349192D+02  0.106227D+02 -0.144508D+02  0.193482D+02  0.152100D+01
      3   0.145274D+01  0.111530D+01  0.747065D+01 -0.246600D+01  0.864977D+01
      4   0.736961D+01 -0.789512D+01  0.495624D+01 -0.578621D+01 -0.924210D+01
      5  -0.889139D+01 -0.583608D+01  0.214059D+02 -0.724210D+01  0.532977D+01
      6   0.111334D+02  0.238372D+01 -0.198447D+02  0.125417D+02  0.349721D+00
                46            47            48            49            50 
      1   0.184969D+01 -0.473843D+02  0.954824D+01  0.274683D+02 -0.592199D+01
      2  -0.381772D+01  0.422931D+02 -0.489269D+01 -0.225892D+02 -0.203622D+01
      3   0.196803D+01  0.509127D+01 -0.465555D+01 -0.487911D+01  0.795821D+01
      4   0.141494D+02 -0.276764D+01  0.115051D+01 -0.461181D+01 -0.112405D+02
      5  -0.214049D+01  0.520957D+01 -0.141537D+01  0.117990D+01  0.299253D+01
      6   0.436912D+01 -0.205842D+01  0.830943D+01  0.457162D+01  0.136047D+02
                51            52            53            54            55 
      1  -0.667834D+01 -0.675219D+01 -0.263930D+01 -0.239007D+02  0.113279D+02
      2   0.897993D+01  0.846389D+01  0.139907D+02  0.109509D+02 -0.821576D+01
      3  -0.230159D+01 -0.171171D+01 -0.113514D+02  0.129498D+02 -0.311214D+01
      4   0.575881D+01  0.266008D+01  0.764017D+01  0.652689D+01 -0.381071D+02
      5   0.118574D+00  0.373410D+01  0.128636D+01 -0.856649D+00  0.756183D+01
      6   0.304467D+01  0.338407D+01  0.230344D+02 -0.836726D+01  0.275732D+01
                56            57            58            59            60 
      1  -0.530041D+02  0.103814D+02  0.458093D+00  0.233412D+02 -0.111426D+02
      2   0.337880D+02 -0.359843D+01 -0.559464D+01 -0.183164D+02  0.949520D+01
      3   0.192161D+02 -0.678295D+01  0.513655D+01 -0.502489D+01  0.164741D+01
      4  -0.276683D+02  0.667194D+01  0.320919D+02 -0.182208D+02  0.454963D+00
      5   0.746219D+01 -0.113225D+02 -0.852023D+01  0.103243D+01 -0.727936D+00
      6  -0.714645D+00  0.643337D+01  0.346877D+01  0.105962D+02  0.176790D+01
                61            62            63            64            65 
      1  -0.181153D+01 -0.792747D+01 -0.203984D+02  0.263370D+01 -0.957705D+00
      2   0.338415D+01  0.152326D+02  0.402210D+01 -0.644056D+00  0.170838D+01
      3  -0.157262D+01 -0.730517D+01  0.163763D+02 -0.198964D+01 -0.750679D+00
      4  -0.572811D+01  0.283422D+01 -0.911105D+01  0.703660D+01  0.904753D+01
      5   0.114516D+01 -0.115296D+02  0.830215D+01 -0.222631D+01 -0.233115D+01
      6   0.734837D+00  0.167641D+02 -0.574024D+01 -0.149385D+01 -0.125258D+01
                66            67            68            69            70 
      1   0.239617D+00 -0.436363D+01 -0.164152D+02  0.445663D+01  0.549516D+00
      2   0.199006D+00  0.563305D+01  0.178064D+02 -0.210950D+01 -0.469711D-01
      3  -0.438623D+00 -0.126942D+01 -0.139120D+01 -0.234713D+01 -0.502545D+00
      4  -0.178618D+01  0.120021D+02  0.168745D+02 -0.375017D+01 -0.315762D+01
      5   0.254127D+01 -0.352294D+01 -0.392457D+01  0.357129D+01  0.174937D+01
      6   0.110594D+01 -0.304158D+01 -0.688416D+01  0.517850D+01  0.208878D+01
                71            72            73            74            75 
      1   0.303680D+01 -0.350068D+01  0.206865D+01  0.569083D+01 -0.109711D+01
      2  -0.255213D+01  0.274609D+01  0.103404D+02 -0.162701D+02  0.200295D+01
      3  -0.484670D+00  0.754589D+00 -0.124091D+02  0.105792D+02 -0.905837D+00
      4  -0.437984D+01  0.233871D+01 -0.290813D+02  0.256077D+02 -0.394931D+01
      5   0.600745D+00 -0.154004D+01  0.424704D+01 -0.407700D+01  0.392935D+01
      6   0.329735D+01 -0.266404D+01 -0.277110D+01  0.320519D+01 -0.348907D+01
                76            77            78            79            80 
      1   0.109165D+02 -0.226207D+02  0.391390D+01 -0.279242D+01  0.455658D+01
      2  -0.231677D+02  0.395104D+02 -0.495549D+01  0.568455D+01 -0.681122D+01
      3   0.122512D+02 -0.168897D+02  0.104160D+01 -0.289213D+01  0.225464D+01
      4   0.283990D+02 -0.357390D+02  0.571670D+01 -0.532041D+01  0.619574D+01
      5  -0.541558D+01  0.588722D+01 -0.424438D+01  0.830845D+00 -0.314877D+01
      6   0.615793D+01 -0.731676D+01  0.670875D+01  0.405328D+00  0.418547D+01
                81            82            83            84            85 
      1  -0.140884D+01 -0.711500D+01 -0.113036D+02  0.318261D+01 -0.832805D+01
      2   0.250363D+01  0.998282D+01  0.166613D+02 -0.338522D+01  0.111534D+02
      3  -0.109479D+01 -0.286782D+01 -0.535774D+01  0.202616D+00 -0.282535D+01
      4  -0.330258D+01  0.853809D+01  0.171771D+02 -0.381831D+01  0.925611D+01
      5   0.178392D+01 -0.142620D+01 -0.258327D+01  0.278180D+01 -0.164338D+01
      6  -0.260956D+01 -0.311062D+01 -0.495972D+01  0.346610D+01 -0.314412D+01
                86            87            88            89            90 
      1  -0.511303D+02  0.123091D+02  0.220565D+01  0.130211D+02 -0.467563D+01
      2   0.693711D+02 -0.134752D+02 -0.320241D+01 -0.159312D+02  0.496866D+01
      3  -0.182408D+02  0.116609D+01  0.996763D+00  0.291007D+01 -0.293024D+00
      4   0.230130D+02 -0.486132D+01 -0.328561D+01 -0.534041D+01  0.288343D+01
      5  -0.239769D+01  0.194332D+01  0.681867D+00  0.266334D+01 -0.146652D+01
      6  -0.177069D+02  0.111742D+02  0.725354D+00  0.740044D+01 -0.442792D+01
                91            92            93            94            95 
      1  -0.389024D+01  0.443459D+01 -0.147564D+02 -0.211546D+01 -0.784575D+01
      2   0.860981D+01  0.453188D+00  0.933814D+00  0.849728D+01 -0.393777D+01
      3  -0.471957D+01 -0.488778D+01  0.138226D+02 -0.638183D+01  0.117835D+02
      4  -0.919619D+01 -0.182080D+02 -0.322550D+01 -0.242354D+02  0.317790D+02
      5   0.180557D+01 -0.477464D+01 -0.197970D+02  0.454568D+00 -0.171629D+02
      6  -0.547536D+01  0.797839D+00  0.859240D+00 -0.552082D+01  0.405578D+01
                96            97            98            99           100 
      1  -0.178776D+01 -0.132449D+01 -0.285257D+01 -0.191892D+02 -0.800441D+02
      2   0.187979D+01 -0.160489D+02  0.798159D+01  0.186885D+02  0.473118D+02
      3  -0.920393D-01  0.173734D+02 -0.512902D+01  0.500696D+00  0.327323D+02
      4  -0.198451D+02 -0.847483D+01 -0.217396D+02 -0.384733D+01  0.291852D+01
      5  -0.331351D+01 -0.658534D+02  0.388166D+01  0.183935D+02  0.449142D+02
      6   0.355055D+01  0.238184D+01 -0.178080D+01 -0.182466D+01 -0.230859D+00
               101           102           103           104           105 
      1  -0.906608D+00  0.309286D+02 -0.829008D+01  0.339066D+02  0.674458D+01
      2   0.203500D+00 -0.986737D+01  0.180896D+01 -0.734154D+01 -0.226171D+01
      3   0.703108D+00 -0.210612D+02  0.648111D+01 -0.265651D+02 -0.448287D+01
      4   0.205186D+02  0.961282D+00  0.199610D+02 -0.324267D+01  0.260015D+02
      5   0.266941D+01  0.773845D+01  0.501509D+01  0.170925D+02  0.384236D+01
      6  -0.123341D+02 -0.129196D+01 -0.645630D+01 -0.241729D+01 -0.210612D+02
               106           107           108           109           110 
      1   0.595906D+01  0.490460D+01  0.173802D+02 -0.641633D+02 -0.256167D+02
      2   0.162602D+02 -0.411792D+01 -0.226583D+02  0.212101D+02  0.245624D+01
      3  -0.222193D+02 -0.786675D+00  0.527812D+01  0.429532D+02  0.231604D+02
      4  -0.356213D+00  0.213796D+02  0.178759D+01 -0.470250D+02 -0.290181D+02
      5   0.413820D+02 -0.146335D+01 -0.305006D+02  0.868269D+01  0.501831D+00
      6  -0.286938D+01 -0.148478D+02 -0.418667D+01  0.754478D+00  0.368151D+01
               111           112           113           114           115 
      1   0.455472D+01 -0.353409D+02 -0.163265D+02  0.113868D+02  0.401110D+02
      2  -0.367637D+01  0.719997D+01  0.243424D+01 -0.902559D-01 -0.155480D+02
      3  -0.878350D+00  0.281410D+02  0.138923D+02 -0.112966D+02 -0.245630D+02
      4   0.344469D+01 -0.168659D+02 -0.270561D+02  0.121687D+02  0.274314D+02
      5  -0.950971D+00  0.225240D+00  0.879731D+01 -0.737148D+01  0.222178D+02
      6  -0.423380D+01  0.511690D+01 -0.172321D+01 -0.137625D+01  0.455842D+01
               116           117           118           119           120 
      1   0.101622D+02  0.224106D+02  0.146467D+02 -0.122806D+02  0.643892D+01
      2  -0.147331D+01 -0.201210D+01 -0.135800D+01  0.229145D+01 -0.156888D+01
      3  -0.868886D+01 -0.203985D+02 -0.132887D+02  0.998917D+01 -0.487005D+01
      4   0.213687D+02  0.609440D+01 -0.247981D+02  0.233955D+02 -0.225400D+01
      5   0.267530D+01  0.245309D+00  0.815715D+01 -0.182941D+01  0.112765D+02
      6  -0.977250D+00 -0.206929D+01 -0.227709D+01  0.129795D+01 -0.101183D+01
               121           122           123           124           125 
      1  -0.196218D+02  0.383930D+01 -0.147072D+01  0.884214D+01  0.130161D+00
      2   0.512802D+01  0.120667D+02 -0.265543D+01 -0.321623D+01 -0.352728D+01
      3   0.144937D+02 -0.159060D+02  0.412616D+01 -0.562591D+01  0.339712D+01
      4   0.236716D+02 -0.450145D+02  0.101576D+02 -0.445071D+01  0.144118D+02
      5  -0.284542D+01  0.926218D+01 -0.108241D+02  0.138387D+02 -0.937351D+01
      6   0.120399D+01 -0.360832D+01  0.413615D+01 -0.277640D+01  0.615823D+01
               126           127           128           129           130 
      1   0.418122D+01 -0.160419D+01  0.793662D+01 -0.112109D+02  0.106768D+02
      2  -0.192435D+01  0.358581D+00 -0.314582D+01 -0.275742D-01 -0.668510D+01
      3  -0.225686D+01  0.124561D+01 -0.479080D+01  0.112385D+02 -0.399167D+01
      4  -0.996590D+01  0.399509D+01 -0.614308D+01  0.244510D+01 -0.120677D+00
      5   0.584964D+01 -0.674838D+00 -0.475300D+00 -0.584391D+01 -0.828491D+01
      6  -0.316492D+01 -0.369076D+01  0.574082D+01 -0.280520D+01  0.120071D+01
               131           132           133           134           135 
      1  -0.172358D+02  0.111043D+02 -0.474928D+01  0.683474D+01 -0.145743D+02
      2   0.562801D+01  0.313831D+01  0.115092D+01  0.174804D+01 -0.183570D+01
      3   0.116077D+02 -0.142426D+02  0.359836D+01 -0.858279D+01  0.164100D+02
      4   0.225099D+02 -0.150348D+02 -0.328264D+00 -0.105354D+02  0.892410D+01
      5  -0.107221D+02  0.162189D+02  0.169784D+01  0.667492D+01 -0.106818D+02
      6  -0.167541D+02  0.136586D+02 -0.638269D-01  0.109162D+02 -0.825500D+01
               136           137           138           139           140 
      1   0.115702D+03 -0.131090D+01 -0.217014D+02  0.251355D+01  0.615063D+01
      2  -0.706422D+02  0.673214D+00  0.199380D+02 -0.256241D+01 -0.444538D+01
      3  -0.450595D+02  0.637690D+00  0.176336D+01  0.488526D-01 -0.170525D+01
      4  -0.560691D+01  0.109759D+02  0.249899D+01  0.146389D+02  0.150965D+00
      5  -0.686758D+02  0.203080D+01  0.312118D+02 -0.230149D+01 -0.705220D+01
      6   0.317950D+01 -0.381645D+01 -0.177146D+01 -0.446931D+01 -0.433530D-01
               141           142           143           144           145 
      1  -0.896756D+00 -0.838062D+01 -0.141205D+01  0.923414D+01  0.837759D+00
      2   0.138582D+01  0.927173D+01  0.544512D+00 -0.754216D+01 -0.135678D+01
      3  -0.489059D+00 -0.891111D+00  0.867536D+00 -0.169199D+01  0.519019D+00
      4  -0.578733D+01 -0.802369D+00 -0.365206D+01  0.360159D+00 -0.358056D+01
      5   0.186473D+01  0.186203D+02  0.109033D+01 -0.854941D+01 -0.407692D+01
      6   0.433160D+01 -0.536859D-01  0.283137D+01  0.450107D+00  0.408909D+01
               146           147           148           149           150 
      1  -0.954492D+01 -0.136684D+02 -0.772709D+01 -0.209263D+02 -0.161183D+02
      2   0.382220D+01  0.204351D+01  0.545138D+01  0.965314D+01  0.184445D+00
      3   0.572272D+01  0.116249D+02  0.227572D+01  0.112732D+02  0.159339D+02
      4  -0.459793D+01 -0.254392D+01  0.363250D+01 -0.260740D+02 -0.210759D+02
      5  -0.126476D+00 -0.437602D+01  0.844460D+01 -0.166944D+02 -0.215937D+02
      6   0.656290D+01  0.505762D+01 -0.627233D+00  0.223922D+02  0.205240D+02
               151           152           153           154           155 
      1  -0.470289D+01 -0.116439D+02 -0.205857D+02  0.147176D+03  0.387571D+02
      2   0.218815D+01 -0.255626D+00 -0.213078D+01 -0.613981D+02 -0.925930D+01
      3   0.251474D+01  0.118996D+02  0.227165D+02 -0.857776D+02 -0.294978D+02
      4   0.289376D+01 -0.146330D+02 -0.148492D+02  0.726247D+02  0.483468D+02
      5   0.390966D+01 -0.129688D+02 -0.196685D+02  0.263732D+01  0.371357D+01
      6  -0.354182D+00  0.155423D+02  0.165169D+02 -0.164086D+01 -0.648055D+00
               156           157           158           159           160 
      1  -0.926277D+01  0.499422D+02  0.317317D+02 -0.523464D+01 -0.128164D+02
      2   0.145927D+01 -0.729749D+01  0.508299D+01 -0.150924D+01  0.250696D+01
      3   0.780351D+01 -0.426447D+02 -0.368147D+02  0.674387D+01  0.103095D+02
      4  -0.437261D+00  0.697282D+02  0.633825D+02 -0.839648D+01 -0.104333D+02
      5   0.291162D+02 -0.155730D+01 -0.345277D+01  0.178220D+02  0.282267D+02
      6   0.739246D+01  0.922156D+00  0.783132D+00  0.854940D+01  0.882460D+01
               161           162           163           164           165 
      1  -0.443272D+01  0.151298D+02  0.406245D+02  0.165701D+02  0.923783D+01
      2  -0.197936D+01 -0.769148D+01 -0.241670D+02 -0.559416D+01 -0.836934D+01
      3   0.641207D+01 -0.743831D+01 -0.164574D+02 -0.109760D+02 -0.868494D+00
      4  -0.141615D+02  0.138716D+02  0.338931D+02  0.154725D+02  0.260906D+01
      5   0.123856D+02 -0.127402D+02  0.235952D+02  0.356287D+01  0.176659D+02
      6   0.719322D+01 -0.269102D+01  0.121458D+02  0.200238D+01  0.102947D+01
               166           167           168           169           170 
      1   0.214226D+02 -0.372291D+01 -0.123662D+02 -0.125648D+02 -0.952089D+01
      2  -0.101361D+02  0.371647D+01  0.292882D+01  0.612796D+00  0.211387D+01
      3  -0.112865D+02  0.644894D-02  0.943740D+01  0.119520D+02  0.740701D+01
      4   0.205891D+02  0.115509D+02  0.114736D+02 -0.829960D+01  0.732491D+00
      5   0.126361D+02  0.131523D+02  0.140619D+02  0.151350D+02  0.650748D+01
      6   0.466665D+01  0.931063D+01  0.134877D+02  0.447899D+00  0.103177D+02
               171           172           173           174           175 
      1  -0.274468D+02 -0.389381D+02 -0.938050D+01  0.112296D+02 -0.213792D+02
      2  -0.142477D+02  0.192268D+02  0.337359D+01  0.259639D+01  0.126642D+02
      3   0.416945D+02  0.197114D+02  0.600692D+01 -0.138260D+02  0.871501D+01
      4   0.408677D+01 -0.268155D+02 -0.112489D+02 -0.186328D+01 -0.189332D+02
      5   0.439861D+02 -0.165389D+02 -0.546097D+01 -0.135013D+02 -0.123338D+02
      6   0.128655D+02 -0.864396D+01 -0.500681D+01 -0.402362D+01 -0.580350D+01
               176           177           178           179           180 
      1  -0.108871D+02  0.397415D+01  0.198105D+01  0.903159D+00 -0.114176D+02
      2   0.510875D+01  0.348702D+01  0.450052D+01  0.684506D+00  0.166782D+01
      3   0.577832D+01 -0.746117D+01 -0.648157D+01 -0.158767D+01  0.974979D+01
      4  -0.708122D+01  0.615538D+00 -0.583525D+01 -0.452105D+00 -0.479131D+01
      5  -0.443803D+00 -0.105664D+02 -0.593445D+01 -0.190603D+01  0.370914D+01
      6  -0.303015D+01  0.100927D+01 -0.295660D+01  0.153613D+01 -0.151469D+01
               181           182           183           184           185 
      1  -0.545171D+01  0.575186D+02 -0.128312D+02 -0.820979D+02  0.293000D+02
      2   0.118645D+01 -0.378860D+02  0.458109D+01  0.513806D+02 -0.227247D+02
      3   0.426527D+01 -0.196326D+02  0.825007D+01  0.307173D+02 -0.657537D+01
      4   0.311511D+02  0.343186D+02 -0.895970D+01  0.313197D+02  0.206186D+02
      5  -0.390080D+01 -0.108544D+02  0.159773D+02  0.121177D+00 -0.127326D+02
      6  -0.251432D+01  0.533777D+01 -0.870712D+01 -0.101874D+02  0.836563D+01
               186           187           188           189           190 
      1  -0.309017D+01  0.225867D+02 -0.125034D+02  0.211767D+01  0.122451D+03
      2   0.368015D+01 -0.226411D+02  0.128767D+02 -0.746262D+01 -0.682228D+02
      3  -0.589978D+00  0.544073D-01 -0.373378D+00  0.534495D+01 -0.542278D+02
      4  -0.129980D+02 -0.537021D+01 -0.156258D+02 -0.134683D+02 -0.210485D+02
      5  -0.382740D+01  0.276611D+02 -0.150169D+02  0.890738D+01  0.909434D+01
      6   0.350517D+01 -0.142816D+02  0.917791D+01  0.103608D+01  0.100068D+01
               191           192           193           194           195 
      1  -0.404346D+02  0.391247D+01  0.559650D+01 -0.189578D+02  0.108738D+02
      2   0.266141D+02 -0.289939D+01 -0.682999D+01  0.207235D+02 -0.117702D+02
      3   0.138205D+02 -0.101309D+01  0.123349D+01 -0.176570D+01  0.896434D+00
      4   0.298100D+02 -0.654475D+01 -0.176870D+02 -0.583618D+02  0.144704D+02
      5  -0.774414D+01 -0.157674D+00  0.156935D+02  0.141325D+02 -0.453215D+01
      6  -0.318961D+00  0.380270D+01  0.561358D+01 -0.816909D+01  0.158262D+00
               196           197           198           199           200 
      1  -0.247110D+01  0.128334D+02  0.240397D+02 -0.115212D+03  0.246630D+02
      2   0.269795D+01 -0.110570D+02 -0.211631D+02  0.563080D+02 -0.132644D+02
      3  -0.226854D+00 -0.177642D+01 -0.287661D+01  0.589042D+02 -0.113986D+02
      4   0.182222D+02  0.919242D+01 -0.657947D+01  0.302375D+02 -0.341861D+02
      5   0.484088D+02 -0.126708D+02  0.184338D+01 -0.735759D+01  0.138984D+02
      6  -0.159073D+01  0.554545D+01  0.394577D+01  0.653568D+01 -0.561554D+00
               201           202           203           204           205 
      1   0.311222D+00  0.932906D+02 -0.173328D+02 -0.430846D+01 -0.156173D+02
      2   0.152842D+00 -0.580351D+02  0.146123D+01  0.533726D+01  0.131928D+02
      3  -0.464065D+00 -0.352555D+02  0.158716D+02 -0.102880D+01  0.242458D+01
      4   0.996460D+01 -0.166346D+02  0.276210D+02  0.274533D+01  0.559319D+01
      5   0.195404D+01  0.459375D+01  0.182397D+01  0.555123D+01  0.554354D+01
      6  -0.101932D+00  0.556740D+01  0.107454D+02  0.188902D+01  0.372060D+01
               206           207           208           209           210 
      1   0.132792D+01 -0.141751D+02  0.161732D+02  0.322096D+02 -0.588523D+01
      2   0.734624D+01 -0.882913D+00 -0.112256D+02 -0.203000D+02  0.288611D+01
      3  -0.867416D+01  0.150580D+02 -0.494764D+01 -0.119096D+02  0.299912D+01
      4   0.967100D+01  0.238675D+02  0.255524D+02  0.323621D+01  0.453568D+01
      5   0.248754D+02 -0.131985D+02 -0.777366D+01  0.521387D+01  0.270027D+02
      6   0.121455D+02 -0.176818D+01  0.141215D+01 -0.904474D+00 -0.539932D+01
               211           212           213           214           215 
      1   0.240063D+00  0.138790D+02 -0.437002D+01  0.353080D+00 -0.467824D+01
      2   0.264504D+01 -0.547456D+01  0.538171D+01  0.140367D+01  0.392006D+01
      3  -0.288510D+01 -0.840447D+01 -0.101169D+01 -0.175675D+01  0.758179D+00
      4   0.396156D+02  0.104828D+02 -0.522428D+01 -0.811579D+01  0.532366D+00
      5  -0.860975D+01 -0.411001D+01 -0.999579D+01  0.124986D+02  0.561265D+01
      6  -0.138138D+01  0.204378D+01  0.785129D+01  0.302072D+01  0.273897D+01
               216           217           218           219           220 
      1   0.223508D+01 -0.643663D+02 -0.454212D+02  0.150895D+02 -0.436182D+02
      2  -0.287736D+01  0.394313D+02  0.226096D+02 -0.772963D+01  0.219778D+02
      3   0.642274D+00  0.249350D+02  0.228116D+02 -0.735990D+01  0.216404D+02
      4   0.767891D+01 -0.437131D+02  0.152667D+02  0.162374D+01 -0.244828D+02
      5  -0.299014D+01  0.146928D+02  0.182430D+01 -0.560906D+01  0.746750D+01
      6  -0.252003D+01 -0.130481D+01 -0.937520D+00  0.174100D+01  0.301980D+01
               221           222           223           224           225 
      1   0.511760D+01  0.103373D+02  0.121381D+02  0.859866D+01 -0.939961D+00
      2  -0.708517D+01 -0.127782D+02 -0.894233D+00 -0.108277D+02  0.545273D-01
      3   0.196757D+01  0.244092D+01 -0.112439D+02  0.222902D+01  0.885434D+00
      4   0.332445D+02  0.218797D+02  0.661186D+01  0.153236D+02  0.426135D+02
      5   0.219896D+02  0.646509D+02 -0.302380D+02  0.467335D+02 -0.401946D+02
      6  -0.910073D+01 -0.188504D+02  0.128191D+02 -0.150279D+02  0.792027D+01
               226           227           228           229           230 
      1  -0.687663D+01 -0.160362D+02  0.448527D+01 -0.713216D+01 -0.456823D+02
      2   0.685827D+01  0.148695D+02 -0.307826D+01  0.677092D+01  0.515282D+02
      3   0.183613D-01  0.116674D+01 -0.140702D+01  0.361239D+00 -0.584588D+01
      4  -0.420638D-01  0.558107D+01 -0.914414D+00  0.252882D+01 -0.989637D+01
      5   0.338677D+00 -0.655367D+00  0.110771D+01 -0.597045D-01  0.396789D+01
      6  -0.230333D+01 -0.422544D+01  0.271674D+01 -0.180259D+01 -0.152292D+02
               231           232           233           234           235 
      1   0.113349D+02  0.217346D+01  0.118466D+02 -0.452171D+01  0.335880D+02
      2  -0.958670D+01 -0.186456D+01 -0.117631D+02  0.389540D+01 -0.110945D+02
      3  -0.174820D+01 -0.308892D+00 -0.835026D-01  0.626315D+00 -0.224935D+02
      4   0.274642D+01 -0.893599D-01  0.273147D+01  0.101806D+01 -0.310546D+02
      5  -0.249659D+01  0.150061D+01 -0.208825D+00 -0.113726D+00  0.580322D+01
      6   0.929113D+01  0.688866D+00  0.606548D+01 -0.367887D+01 -0.205277D+01
               236           237           238           239           240 
      1  -0.128028D+02  0.115093D+01 -0.153342D+02  0.399981D+01 -0.887827D+00
      2  -0.133244D+00  0.365266D-01 -0.378239D+01  0.154666D+02 -0.972021D+00
      3   0.129360D+02 -0.118746D+01  0.191166D+02 -0.194664D+02  0.185985D+01
      4   0.254113D+02 -0.382393D+01  0.376057D+02 -0.433624D+02  0.693343D+01
      5  -0.491720D+01  0.355108D+01 -0.904376D+01  0.893253D+01 -0.625831D+01
      6   0.238412D+01 -0.196575D+01  0.564232D+01 -0.661213D+01  0.519781D+01
               241           242           243           244           245 
      1   0.121023D+01 -0.687396D+00 -0.167736D+01  0.490413D+01  0.852577D+01
      2   0.245252D+01 -0.258231D+01  0.166068D+01  0.261279D+01  0.853187D+00
      3  -0.366275D+01  0.326971D+01  0.166768D-01 -0.751692D+01 -0.937896D+01
      4  -0.760794D+01  0.821015D+01 -0.315743D+01  0.250136D+02  0.235417D+02
      5  -0.148426D+00 -0.282755D+01  0.205179D+01 -0.584768D+01 -0.505684D+01
      6  -0.228979D+00  0.280506D+01 -0.182558D+01 -0.298821D+01 -0.276218D+01
               246           247           248           249           250 
      1  -0.210061D+01  0.603952D+01 -0.899936D+01  0.210326D+01 -0.163508D+01
      2   0.645944D+00  0.665018D+01  0.240354D+02 -0.325459D+01 -0.422672D+00
      3   0.145466D+01 -0.126897D+02 -0.150360D+02  0.115133D+01  0.205775D+01
      4  -0.610852D+01  0.311395D+02  0.508859D+02 -0.119144D+02 -0.825771D+01
      5   0.493085D+01 -0.665399D+01 -0.100846D+02  0.838953D+01  0.454047D+01
      6   0.265323D+01 -0.477552D+01 -0.886868D+01  0.731145D+01  0.365429D+01
               251           252           253           254           255 
      1   0.148923D+01 -0.120574D+01  0.139595D+01 -0.586075D+01 -0.114771D+02
      2  -0.416876D+01  0.235662D+01  0.331334D-01  0.334201D+01  0.568703D+01
      3   0.267953D+01 -0.115088D+01 -0.142909D+01  0.251874D+01  0.579007D+01
      4  -0.129633D+02  0.519722D+01 -0.270668D+01 -0.113436D+01  0.213409D+01
      5   0.327730D+01 -0.310608D+01 -0.104186D+02  0.127811D+01 -0.307980D+01
      6   0.449273D+01 -0.360715D+01  0.262748D+01  0.920834D+00  0.203457D+01
               256           257           258           259           260 
      1  -0.212335D+02  0.390386D+01  0.858129D+00 -0.305795D+02  0.338241D+01
      2   0.544332D+01  0.108686D+02  0.460405D+01  0.135738D+02  0.247640D+01
      3   0.157902D+02 -0.147724D+02 -0.546218D+01  0.170057D+02 -0.585881D+01
      4   0.372264D+02 -0.567698D+02 -0.301081D+02  0.229110D+02 -0.324598D+02
      5   0.169997D+02 -0.309346D+02 -0.311411D+02  0.263231D+02 -0.318837D+02
      6  -0.837259D+01  0.145921D+02  0.127818D+02 -0.985859D+01  0.139473D+02
               261           262           263           264           265 
      1   0.138781D+01  0.105479D+02 -0.165671D+01  0.133314D+02 -0.746450D+01
      2  -0.190019D+01 -0.673979D+01  0.111150D+01 -0.589763D+01  0.269761D+01
      3   0.512378D+00 -0.380808D+01  0.545211D+00 -0.743377D+01  0.476689D+01
      4  -0.295339D+02 -0.992395D+00 -0.947585D+00 -0.545331D+01  0.209041D+02
      5  -0.321574D+02  0.147114D+02 -0.467657D+01  0.400354D+01 -0.155651D+02
      6   0.123697D+02 -0.325823D+01  0.964048D+00  0.238072D+00  0.491899D+01
               266           267           268           269           270 
      1   0.427727D+01 -0.547186D+01  0.455153D+02 -0.989890D+01  0.115380D+02
      2   0.184711D+00  0.215587D+01 -0.285953D+02  0.577183D+01 -0.160861D+02
      3  -0.446198D+01  0.331599D+01 -0.169200D+02  0.412708D+01  0.454802D+01
      4  -0.215073D+02  0.162932D+02 -0.246054D+02  0.211993D+02 -0.271277D+02
      5   0.171427D+02 -0.266629D+02  0.479860D+02 -0.308338D+02  0.753936D+02
      6  -0.599780D+01  0.107560D+02 -0.113980D+02  0.113747D+02 -0.168801D+02
               271           272           273           274           275 
      1   0.199199D+03  0.187832D+02 -0.142208D+02  0.606939D+02  0.191391D+02
      2  -0.105776D+03 -0.108076D+02  0.802061D+01 -0.329339D+02 -0.970791D+01
      3  -0.934234D+02 -0.797559D+01  0.620019D+01 -0.277601D+02 -0.943116D+01
      4   0.162007D+02  0.149674D+02 -0.819966D+00  0.232046D+02  0.140665D+02
      5  -0.151797D+02 -0.954985D+00  0.176967D+02 -0.362091D+01 -0.450606D+01
      6   0.222423D+01 -0.257574D-01 -0.111579D+01  0.140644D+00  0.578404D+00
               276           277           278           279 
      1  -0.423907D+01 -0.238515D+02 -0.224657D+01  0.177081D+02
      2   0.293224D+01  0.134597D+02  0.213137D+01 -0.105434D+02
      3   0.130683D+01  0.103919D+02  0.115202D+00 -0.716476D+01
      4  -0.447390D+01 -0.109720D+01 -0.524811D+01 -0.115920D+01
      5   0.438933D+01  0.255788D+02 -0.133034D+01 -0.355358D+01
      6   0.141879D+01 -0.113203D+01  0.238792D+01 -0.196929D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 21:28:58 2021, MaxMem=  5368709120 cpu:           20432.2 elap:            2560.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.18836 -19.18578 -19.13041 -10.32143 -10.26414
 Alpha  occ. eigenvalues --  -10.25529 -10.22083 -10.21312 -10.21278 -10.20940
 Alpha  occ. eigenvalues --  -10.20821 -10.20669 -10.20601 -10.20580 -10.20374
 Alpha  occ. eigenvalues --  -10.19527 -10.18681  -1.09699  -1.07368  -1.01621
 Alpha  occ. eigenvalues --   -0.88992  -0.84666  -0.80248  -0.78579  -0.74739
 Alpha  occ. eigenvalues --   -0.74426  -0.69946  -0.66312  -0.64453  -0.61950
 Alpha  occ. eigenvalues --   -0.61595  -0.60277  -0.55302  -0.53986  -0.53270
 Alpha  occ. eigenvalues --   -0.51127  -0.48787  -0.48765  -0.46824  -0.46354
 Alpha  occ. eigenvalues --   -0.46244  -0.45571  -0.43834  -0.43209  -0.42921
 Alpha  occ. eigenvalues --   -0.42331  -0.41548  -0.40823  -0.39827  -0.38146
 Alpha  occ. eigenvalues --   -0.37037  -0.36839  -0.36092  -0.35698  -0.34302
 Alpha  occ. eigenvalues --   -0.32877  -0.32585  -0.30210  -0.28091  -0.25755
 Alpha  occ. eigenvalues --   -0.22501
 Alpha virt. eigenvalues --   -0.06495  -0.02990  -0.00913  -0.00225   0.00601
 Alpha virt. eigenvalues --    0.01168   0.02667   0.03678   0.03784   0.04061
 Alpha virt. eigenvalues --    0.05449   0.05582   0.06253   0.06931   0.07383
 Alpha virt. eigenvalues --    0.08002   0.08534   0.09687   0.10201   0.10503
 Alpha virt. eigenvalues --    0.11020   0.11271   0.11468   0.11729   0.12418
 Alpha virt. eigenvalues --    0.13154   0.13259   0.13720   0.14145   0.14758
 Alpha virt. eigenvalues --    0.15721   0.15838   0.16595   0.17117   0.17337
 Alpha virt. eigenvalues --    0.17962   0.18376   0.18798   0.19280   0.19708
 Alpha virt. eigenvalues --    0.20059   0.20774   0.21142   0.21388   0.22006
 Alpha virt. eigenvalues --    0.22955   0.23185   0.23258   0.23501   0.23996
 Alpha virt. eigenvalues --    0.24823   0.25170   0.25542   0.25771   0.26191
 Alpha virt. eigenvalues --    0.26768   0.27660   0.27742   0.28409   0.28848
 Alpha virt. eigenvalues --    0.28968   0.29105   0.29649   0.30314   0.30580
 Alpha virt. eigenvalues --    0.30860   0.31230   0.31530   0.31867   0.32448
 Alpha virt. eigenvalues --    0.32728   0.33354   0.33638   0.33901   0.34505
 Alpha virt. eigenvalues --    0.34789   0.34995   0.35318   0.35680   0.35824
 Alpha virt. eigenvalues --    0.36021   0.36334   0.36814   0.36894   0.37801
 Alpha virt. eigenvalues --    0.37908   0.38226   0.38508   0.38927   0.39346
 Alpha virt. eigenvalues --    0.39699   0.39996   0.40138   0.40759   0.40872
 Alpha virt. eigenvalues --    0.41264   0.41341   0.42125   0.42224   0.42558
 Alpha virt. eigenvalues --    0.42784   0.42909   0.43388   0.44202   0.44828
 Alpha virt. eigenvalues --    0.44963   0.45505   0.46017   0.46423   0.46671
 Alpha virt. eigenvalues --    0.46877   0.47203   0.47806   0.48830   0.49107
 Alpha virt. eigenvalues --    0.49401   0.49781   0.49944   0.50279   0.50664
 Alpha virt. eigenvalues --    0.51281   0.51556   0.52044   0.52394   0.52867
 Alpha virt. eigenvalues --    0.53027   0.53452   0.53827   0.54356   0.54754
 Alpha virt. eigenvalues --    0.55296   0.55918   0.56438   0.57154   0.57258
 Alpha virt. eigenvalues --    0.58215   0.58455   0.59051   0.59352   0.59967
 Alpha virt. eigenvalues --    0.60425   0.60817   0.61148   0.61363   0.61675
 Alpha virt. eigenvalues --    0.63363   0.63461   0.64368   0.64968   0.65563
 Alpha virt. eigenvalues --    0.66167   0.67115   0.67265   0.67682   0.67985
 Alpha virt. eigenvalues --    0.68567   0.69158   0.69528   0.69725   0.70178
 Alpha virt. eigenvalues --    0.70898   0.71490   0.72052   0.72608   0.72837
 Alpha virt. eigenvalues --    0.73682   0.74128   0.74325   0.75225   0.75851
 Alpha virt. eigenvalues --    0.76563   0.77233   0.77419   0.78766   0.79646
 Alpha virt. eigenvalues --    0.80174   0.81326   0.81916   0.82494   0.83136
 Alpha virt. eigenvalues --    0.84133   0.85017   0.86025   0.86508   0.87009
 Alpha virt. eigenvalues --    0.88064   0.88670   0.89226   0.89813   0.91705
 Alpha virt. eigenvalues --    0.92018   0.92388   0.93422   0.93964   0.94574
 Alpha virt. eigenvalues --    0.94955   0.97135   0.97588   0.97978   0.98635
 Alpha virt. eigenvalues --    0.99196   0.99913   1.00735   1.01663   1.01860
 Alpha virt. eigenvalues --    1.02832   1.03239   1.03894   1.04172   1.04922
 Alpha virt. eigenvalues --    1.05547   1.06847   1.07257   1.07877   1.08959
 Alpha virt. eigenvalues --    1.10274   1.11652   1.12214   1.14557   1.15395
 Alpha virt. eigenvalues --    1.16273   1.16596   1.17792   1.17810   1.18803
 Alpha virt. eigenvalues --    1.19159   1.19517   1.20190   1.21545   1.22918
 Alpha virt. eigenvalues --    1.24554   1.25388   1.26107   1.27583   1.28660
 Alpha virt. eigenvalues --    1.29226   1.29416   1.30716   1.31075   1.34270
 Alpha virt. eigenvalues --    1.34913   1.35175   1.35740   1.36957   1.38061
 Alpha virt. eigenvalues --    1.39469   1.40266   1.40722   1.43785   1.45269
 Alpha virt. eigenvalues --    1.45317   1.47202   1.48124   1.48287   1.50514
 Alpha virt. eigenvalues --    1.50998   1.52524   1.53114   1.55202   1.56133
 Alpha virt. eigenvalues --    1.57725   1.58256   1.58554   1.59720   1.60702
 Alpha virt. eigenvalues --    1.62136   1.63329   1.64549   1.65421   1.65529
 Alpha virt. eigenvalues --    1.66631   1.67754   1.68707   1.69264   1.71301
 Alpha virt. eigenvalues --    1.72058   1.72948   1.73933   1.74697   1.76424
 Alpha virt. eigenvalues --    1.76860   1.78739   1.79715   1.80966   1.82532
 Alpha virt. eigenvalues --    1.82860   1.83408   1.84887   1.85464   1.85985
 Alpha virt. eigenvalues --    1.87580   1.88037   1.88982   1.89799   1.91068
 Alpha virt. eigenvalues --    1.91523   1.93175   1.94473   1.95285   1.96747
 Alpha virt. eigenvalues --    1.97206   1.98098   1.98676   1.99317   2.01330
 Alpha virt. eigenvalues --    2.01888   2.02916   2.04598   2.05176   2.05855
 Alpha virt. eigenvalues --    2.06182   2.07229   2.07927   2.08606   2.09215
 Alpha virt. eigenvalues --    2.09765   2.12009   2.12629   2.13546   2.15037
 Alpha virt. eigenvalues --    2.15472   2.17636   2.19424   2.21292   2.21886
 Alpha virt. eigenvalues --    2.23065   2.25379   2.26512   2.27590   2.28213
 Alpha virt. eigenvalues --    2.29709   2.30855   2.31885   2.33202   2.33930
 Alpha virt. eigenvalues --    2.35848   2.37695   2.37944   2.39596   2.41760
 Alpha virt. eigenvalues --    2.42228   2.43977   2.44987   2.46305   2.46502
 Alpha virt. eigenvalues --    2.49763   2.49956   2.51103   2.52326   2.54671
 Alpha virt. eigenvalues --    2.55349   2.56318   2.57462   2.58861   2.60163
 Alpha virt. eigenvalues --    2.64349   2.65477   2.67748   2.69630   2.72554
 Alpha virt. eigenvalues --    2.76979   2.79141   2.81008   2.85616   2.86007
 Alpha virt. eigenvalues --    2.87427   2.91291   2.91367   2.92140   2.92912
 Alpha virt. eigenvalues --    2.93925   2.95332   2.95827   2.97454   2.98099
 Alpha virt. eigenvalues --    3.00159   3.01630   3.04091   3.07573   3.08369
 Alpha virt. eigenvalues --    3.08979   3.10141   3.11320   3.13541   3.14910
 Alpha virt. eigenvalues --    3.16686   3.19123   3.19876   3.20110   3.24923
 Alpha virt. eigenvalues --    3.27803   3.30938   3.46028   3.47782   3.56289
 Alpha virt. eigenvalues --    3.59171   3.64359   3.79256   3.83417   3.97601
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   12.546051  -1.472925  -1.784479   0.174776  -0.481186  -0.035144
     2  C   -1.472925  13.227960   0.442952  -1.371550   0.537921  -1.712825
     3  C   -1.784479   0.442952  10.916637  -2.443079  -0.110837  -0.172008
     4  C    0.174776  -1.371550  -2.443079  15.225528  -1.265612   0.949730
     5  C   -0.481186   0.537921  -0.110837  -1.265612  10.466713  -0.902525
     6  C   -0.035144  -1.712825  -0.172008   0.949730  -0.902525   9.392449
     7  C   -1.127557  -1.021841  -0.665484   0.176336   0.098942   0.225685
     8  H   -0.759557   0.150862   0.439661  -2.065764  -0.001790   0.179282
     9  H    0.270893  -0.059306   0.112950  -1.884049   0.154792  -1.057958
    10  H    0.043722  -1.022942   0.173159  -0.044640  -0.942382   0.034739
    11  C   -0.016083   0.158583  -0.708769  -0.038621  -1.072413   0.023633
    12  C   -0.003930  -0.000832  -0.110757   0.169516  -0.045471   0.008523
    13  C   -0.026064  -0.015693  -0.236578   0.498416  -0.125859   0.003455
    14  H    0.027085   0.017100   0.219256  -0.559744  -0.070136   0.007389
    15  H   -0.001386   0.001730   0.031646  -0.079814   0.007109   0.000647
    16  H   -0.001227  -0.000256  -0.017393   0.031178  -0.023641   0.000257
    17  H    0.004136   0.001418   0.041601  -0.114722   0.077582  -0.008436
    18  O    0.000391   0.000798   0.070402  -0.079315   0.035484  -0.000503
    19  O    0.008684  -0.002331  -0.024725  -0.018785   0.026194   0.000070
    20  H    0.009201   0.002688   0.015683  -0.071452  -0.009688   0.001087
    21  C    0.626493  -0.511046   0.116165  -0.043657   0.012956   0.020610
    22  C   -0.692403   0.141376   0.048460   0.024255   0.002389   0.211891
    23  C   -0.550269  -0.967633  -0.001575   0.174333   0.002805  -1.232227
    24  O    0.017051   0.065995  -0.002376  -0.003135  -0.000901  -0.011370
    25  C    0.000543  -0.003284  -0.000999  -0.000082  -0.000003   0.000940
    26  H   -0.170739   0.030685  -0.223748   0.008441  -0.009694  -0.028556
    27  H   -0.000706   0.182585   0.024557   0.001636  -0.000731  -0.004122
    28  H   -0.002224  -0.045730   0.002543  -0.017386   0.042657  -0.023449
    29  H    0.001148  -0.002726  -0.000159   0.000003   0.000004  -0.000097
    30  H    0.001015  -0.002572  -0.000114   0.000002   0.000005  -0.000151
    31  H   -0.001927   0.000119   0.000057  -0.000001  -0.000002   0.000059
               7          8          9         10         11         12
     1  C   -1.127557  -0.759557   0.270893   0.043722  -0.016083  -0.003930
     2  C   -1.021841   0.150862  -0.059306  -1.022942   0.158583  -0.000832
     3  C   -0.665484   0.439661   0.112950   0.173159  -0.708769  -0.110757
     4  C    0.176336  -2.065764  -1.884049  -0.044640  -0.038621   0.169516
     5  C    0.098942  -0.001790   0.154792  -0.942382  -1.072413  -0.045471
     6  C    0.225685   0.179282  -1.057958   0.034739   0.023633   0.008523
     7  C    9.711217  -0.285521  -0.008226   0.005253  -0.003905   0.002085
     8  H   -0.285521   3.530711   0.062518  -0.020952  -0.292819  -0.024713
     9  H   -0.008226   0.062518   4.534722  -1.089330  -0.548162  -0.058327
    10  H    0.005253  -0.020952  -1.089330   3.712541   0.027450   0.001509
    11  C   -0.003905  -0.292819  -0.548162   0.027450   8.174065   0.382639
    12  C    0.002085  -0.024713  -0.058327   0.001509   0.382639   4.161450
    13  C   -0.001317  -0.108960  -0.047785   0.001183  -0.344015   0.052410
    14  H    0.000930   0.045188   0.075021  -0.003089  -0.012358  -0.230998
    15  H   -0.000744   0.019815   0.001073   0.000132   0.059275   0.207797
    16  H   -0.000128  -0.003362  -0.008499   0.000061   0.190403   0.177366
    17  H    0.000429   0.004875   0.038999  -0.001189   0.164898   0.104230
    18  O    0.000128   0.018498   0.007908  -0.000157  -0.024299  -0.014352
    19  O    0.000851   0.015452  -0.002824  -0.000281   0.037281   0.008142
    20  H    0.000542  -0.000348   0.007709  -0.000271  -0.045801   0.001751
    21  C   -0.316474   0.053626   0.000197  -0.012494  -0.000037  -0.000019
    22  C    0.672644  -0.005958  -0.003393   0.041107  -0.000401  -0.000187
    23  C   -0.438963  -0.012842   0.032391  -0.407646  -0.001278  -0.000168
    24  O   -0.002829  -0.000161   0.000072   0.000420   0.000033   0.000005
    25  C    0.041261  -0.000083  -0.000004   0.000100  -0.000002  -0.000000
    26  H   -0.572866  -0.229020   0.000291   0.001079   0.001682   0.001041
    27  H   -0.535381   0.001999   0.000012   0.000022   0.000032  -0.000008
    28  H    0.042987   0.002203  -0.000809  -0.077536  -0.000100  -0.000013
    29  H    0.003359  -0.000005  -0.000000  -0.000004  -0.000000  -0.000000
    30  H    0.002348  -0.000002  -0.000000  -0.000007  -0.000000   0.000000
    31  H   -0.003283   0.000001   0.000000   0.000000   0.000000  -0.000000
              13         14         15         16         17         18
     1  C   -0.026064   0.027085  -0.001386  -0.001227   0.004136   0.000391
     2  C   -0.015693   0.017100   0.001730  -0.000256   0.001418   0.000798
     3  C   -0.236578   0.219256   0.031646  -0.017393   0.041601   0.070402
     4  C    0.498416  -0.559744  -0.079814   0.031178  -0.114722  -0.079315
     5  C   -0.125859  -0.070136   0.007109  -0.023641   0.077582   0.035484
     6  C    0.003455   0.007389   0.000647   0.000257  -0.008436  -0.000503
     7  C   -0.001317   0.000930  -0.000744  -0.000128   0.000429   0.000128
     8  H   -0.108960   0.045188   0.019815  -0.003362   0.004875   0.018498
     9  H   -0.047785   0.075021   0.001073  -0.008499   0.038999   0.007908
    10  H    0.001183  -0.003089   0.000132   0.000061  -0.001189  -0.000157
    11  C   -0.344015  -0.012358   0.059275   0.190403   0.164898  -0.024299
    12  C    0.052410  -0.230998   0.207797   0.177366   0.104230  -0.014352
    13  C    5.907830  -0.178205   0.065679  -0.061864  -0.017950  -0.058156
    14  H   -0.178205   1.472421  -0.004327   0.033834  -0.016465   0.007757
    15  H    0.065679  -0.004327   0.793414  -0.032848   0.013346  -0.002735
    16  H   -0.061864   0.033834  -0.032848   0.780719  -0.054057   0.004106
    17  H   -0.017950  -0.016465   0.013346  -0.054057   0.853718   0.012123
    18  O   -0.058156   0.007757  -0.002735   0.004106   0.012123   8.470952
    19  O   -0.161526   0.005491  -0.009654   0.007531  -0.000301   0.065630
    20  H    0.131512   0.003176   0.001026  -0.001036  -0.000236  -0.019161
    21  C   -0.000456   0.000039  -0.000043   0.000001   0.000022   0.000066
    22  C    0.000399  -0.000048   0.000023   0.000002  -0.000043  -0.000029
    23  C   -0.000915   0.000442  -0.000032  -0.000014   0.000170   0.000076
    24  O   -0.000008   0.000000  -0.000001   0.000000   0.000001  -0.000000
    25  C    0.000001  -0.000000   0.000000   0.000000  -0.000000  -0.000000
    26  H   -0.000325   0.000100  -0.000373  -0.000026   0.000110   0.000071
    27  H    0.000014  -0.000000  -0.000002   0.000000  -0.000001  -0.000001
    28  H   -0.000045   0.000008  -0.000002  -0.000000   0.000003   0.000003
    29  H    0.000000  -0.000000   0.000000   0.000000  -0.000000  -0.000000
    30  H    0.000000  -0.000000  -0.000000   0.000000  -0.000000  -0.000000
    31  H   -0.000000   0.000000  -0.000000   0.000000  -0.000000   0.000000
              19         20         21         22         23         24
     1  C    0.008684   0.009201   0.626493  -0.692403  -0.550269   0.017051
     2  C   -0.002331   0.002688  -0.511046   0.141376  -0.967633   0.065995
     3  C   -0.024725   0.015683   0.116165   0.048460  -0.001575  -0.002376
     4  C   -0.018785  -0.071452  -0.043657   0.024255   0.174333  -0.003135
     5  C    0.026194  -0.009688   0.012956   0.002389   0.002805  -0.000901
     6  C    0.000070   0.001087   0.020610   0.211891  -1.232227  -0.011370
     7  C    0.000851   0.000542  -0.316474   0.672644  -0.438963  -0.002829
     8  H    0.015452  -0.000348   0.053626  -0.005958  -0.012842  -0.000161
     9  H   -0.002824   0.007709   0.000197  -0.003393   0.032391   0.000072
    10  H   -0.000281  -0.000271  -0.012494   0.041107  -0.407646   0.000420
    11  C    0.037281  -0.045801  -0.000037  -0.000401  -0.001278   0.000033
    12  C    0.008142   0.001751  -0.000019  -0.000187  -0.000168   0.000005
    13  C   -0.161526   0.131512  -0.000456   0.000399  -0.000915  -0.000008
    14  H    0.005491   0.003176   0.000039  -0.000048   0.000442   0.000000
    15  H   -0.009654   0.001026  -0.000043   0.000023  -0.000032  -0.000001
    16  H    0.007531  -0.001036   0.000001   0.000002  -0.000014   0.000000
    17  H   -0.000301  -0.000236   0.000022  -0.000043   0.000170   0.000001
    18  O    0.065630  -0.019161   0.000066  -0.000029   0.000076  -0.000000
    19  O    8.228806   0.165772  -0.000085  -0.000166  -0.000006   0.000008
    20  H    0.165772   0.592943  -0.000025  -0.000054   0.000337  -0.000004
    21  C   -0.000085  -0.000025   7.928288  -1.305083  -0.142714   0.125428
    22  C   -0.000166  -0.000054  -1.305083   8.655645  -0.777086  -0.087261
    23  C   -0.000006   0.000337  -0.142714  -0.777086  10.944971  -0.033860
    24  O    0.000008  -0.000004   0.125428  -0.087261  -0.033860   8.874612
    25  C   -0.000001  -0.000000  -0.056232   0.145400  -0.005118   0.147702
    26  H   -0.000312   0.000371  -0.593742   0.057527   0.054209   0.015451
    27  H   -0.000009   0.000000  -0.477105  -0.612159   0.083906  -0.296519
    28  H   -0.000008   0.000020   0.134992  -0.803717  -0.515946   0.048685
    29  H   -0.000000  -0.000000   0.006469  -0.001736   0.000698   0.117970
    30  H   -0.000000  -0.000000   0.008702  -0.006316   0.002694   0.118035
    31  H   -0.000000   0.000000   0.088767   0.022598   0.012065  -0.298130
              25         26         27         28         29         30
     1  C    0.000543  -0.170739  -0.000706  -0.002224   0.001148   0.001015
     2  C   -0.003284   0.030685   0.182585  -0.045730  -0.002726  -0.002572
     3  C   -0.000999  -0.223748   0.024557   0.002543  -0.000159  -0.000114
     4  C   -0.000082   0.008441   0.001636  -0.017386   0.000003   0.000002
     5  C   -0.000003  -0.009694  -0.000731   0.042657   0.000004   0.000005
     6  C    0.000940  -0.028556  -0.004122  -0.023449  -0.000097  -0.000151
     7  C    0.041261  -0.572866  -0.535381   0.042987   0.003359   0.002348
     8  H   -0.000083  -0.229020   0.001999   0.002203  -0.000005  -0.000002
     9  H   -0.000004   0.000291   0.000012  -0.000809  -0.000000  -0.000000
    10  H    0.000100   0.001079   0.000022  -0.077536  -0.000004  -0.000007
    11  C   -0.000002   0.001682   0.000032  -0.000100  -0.000000  -0.000000
    12  C   -0.000000   0.001041  -0.000008  -0.000013  -0.000000   0.000000
    13  C    0.000001  -0.000325   0.000014  -0.000045   0.000000   0.000000
    14  H   -0.000000   0.000100  -0.000000   0.000008  -0.000000  -0.000000
    15  H    0.000000  -0.000373  -0.000002  -0.000002   0.000000  -0.000000
    16  H    0.000000  -0.000026   0.000000  -0.000000   0.000000   0.000000
    17  H   -0.000000   0.000110  -0.000001   0.000003  -0.000000  -0.000000
    18  O   -0.000000   0.000071  -0.000001   0.000003  -0.000000  -0.000000
    19  O   -0.000001  -0.000312  -0.000009  -0.000008  -0.000000  -0.000000
    20  H   -0.000000   0.000371   0.000000   0.000020  -0.000000  -0.000000
    21  C   -0.056232  -0.593742  -0.477105   0.134992   0.006469   0.008702
    22  C    0.145400   0.057527  -0.612159  -0.803717  -0.001736  -0.006316
    23  C   -0.005118   0.054209   0.083906  -0.515946   0.000698   0.002694
    24  O    0.147702   0.015451  -0.296519   0.048685   0.117970   0.118035
    25  C    3.951943   0.004341  -0.111107  -0.019003   0.203849   0.202147
    26  H    0.004341   2.554429  -0.178395  -0.008756  -0.000320  -0.000378
    27  H   -0.111107  -0.178395   2.923200   0.014936  -0.046702  -0.044790
    28  H   -0.019003  -0.008756   0.014936   2.123337   0.001281   0.001541
    29  H    0.203849  -0.000320  -0.046702   0.001281   0.845599   0.015559
    30  H    0.202147  -0.000378  -0.044790   0.001541   0.015559   0.846077
    31  H    0.325216  -0.000297   0.096651  -0.000478  -0.270862  -0.270652
              31
     1  C   -0.001927
     2  C    0.000119
     3  C    0.000057
     4  C   -0.000001
     5  C   -0.000002
     6  C    0.000059
     7  C   -0.003283
     8  H    0.000001
     9  H    0.000000
    10  H    0.000000
    11  C    0.000000
    12  C   -0.000000
    13  C   -0.000000
    14  H    0.000000
    15  H   -0.000000
    16  H    0.000000
    17  H   -0.000000
    18  O    0.000000
    19  O   -0.000000
    20  H    0.000000
    21  C    0.088767
    22  C    0.022598
    23  C    0.012065
    24  O   -0.298130
    25  C    0.325216
    26  H   -0.000297
    27  H    0.096651
    28  H   -0.000478
    29  H   -0.270862
    30  H   -0.270652
    31  H    2.068371
 Mulliken charges:
               1
     1  C   -0.603382
     2  C   -0.749277
     3  C   -0.152650
     4  C   -1.332742
     5  C   -0.402680
     6  C    0.128927
     7  C   -0.000481
     8  H    0.287166
     9  H    0.469123
    10  H    0.580444
    11  C   -0.110911
    12  C    1.211311
    13  C    0.724821
    14  H    0.160132
    15  H   -0.070751
    16  H   -0.021108
    17  H   -0.104261
    18  O   -0.495686
    19  O   -0.348899
    20  H    0.214256
    21  C    0.336394
    22  C    0.272324
    23  C   -0.220807
    24  O   -0.794913
    25  C    1.172475
    26  H    0.287716
    27  H   -0.021812
    28  H    0.100007
    29  H    0.126674
    30  H    0.126859
    31  H   -0.768270
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.603382
     2  C   -0.749277
     3  C    0.134516
     4  C   -1.332742
     5  C    0.066443
     6  C    0.709372
     7  C    0.287235
    11  C    0.049222
    12  C    1.015191
    13  C    0.724821
    18  O   -0.495686
    19  O   -0.134643
    21  C    0.314582
    22  C    0.272324
    23  C   -0.120800
    24  O   -0.794913
    25  C    0.657738
 Electronic spatial extent (au):  <R**2>=           5469.0391
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              5.1010    Y=              1.4937    Z=              0.9540  Tot=              5.4002
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=           -109.4047   YY=            -96.7623   ZZ=           -103.7043
   XY=            -20.8799   XZ=             -3.5415   YZ=             -4.5955
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -6.1143   YY=              6.5281   ZZ=             -0.4139
   XY=            -20.8799   XZ=             -3.5415   YZ=             -4.5955
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            205.4324  YYY=              3.4232  ZZZ=             -5.2887  XYY=             21.3156
  XXY=             25.8774  XXZ=             22.8859  XZZ=             -0.2113  YZZ=             -0.5389
  YYZ=             -0.2185  XYZ=              6.9980
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -6010.3970 YYYY=           -802.2738 ZZZZ=           -450.8046 XXXY=           -476.4990
 XXXZ=            -42.3664 YYYX=             -8.2142 YYYZ=            -19.4125 ZZZX=              1.7410
 ZZZY=              1.5193 XXYY=          -1169.8833 XXZZ=          -1100.1798 YYZZ=           -224.6960
 XXYZ=            -37.8504 YYXZ=             -6.9786 ZZXY=             -6.1278
 N-N= 1.134400571393D+03 E-N=-4.051502245436D+03  KE= 7.590758063832D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 21:28:59 2021, MaxMem=  5368709120 cpu:               2.8 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 1.99435487D+00 5.71604927D-01 3.45983293D-01
 Polarizability= 2.74145954D+02-1.38066658D+01 1.62745326D+02
                -8.23186857D+00-1.03438991D+01 1.13471925D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        4.0516    4.0514       -9.4388   -9.4412
 2     -4.0516   -4.0514        5.8350    5.8343      -65.6013  -65.6032
 3      9.4388    9.4412       93.9073   93.9111       -5.8331   -5.8343
 4     -5.8350   -5.8343        0.0000    0.0000        9.4421    9.4412
 5    -28.3061  -28.3079       -9.4421   -9.4412        4.0515    4.0514
 6      5.8331    5.8343       -4.0515   -4.0514        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000      -12.1543  -12.1543      -28.3235  -28.3235
 2    -17.5030  -17.5030       -0.0000    0.0000      -28.3235  -28.3235
 3    -17.5030  -17.5030      -12.1543  -12.1543       -0.0000    0.0000
 4    -12.1543  -12.1543       17.5030   17.5030     -196.8097 -196.8097
 5     28.3235   28.3235      281.7332  281.7332      -17.5030  -17.5030
 6    -84.9236  -84.9236      -28.3235  -28.3235       12.1543   12.1543
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.1122    0.0000      -15.9719  -16.2057       37.6038   37.7647
 2     16.1038   16.2057      -23.5338  -23.3373      262.4619  262.4129
 3    -38.0255  -37.7647     -375.7026 -375.6443       23.3419   23.3373
 4     23.2731   23.3373        0.0215    0.0000      -37.7841  -37.7647
 5    112.9511  113.2314       37.9712   37.7647      -16.3598  -16.2057
 6    -23.4805  -23.3373       16.4790   16.2057        0.0469    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.1309    0.0000      137.5452  137.5396      -19.1886  -19.1118
 2   -137.3942 -137.5396      -86.2570  -85.9174       20.3935   20.3768
 3     19.3264   19.1118       54.3657   54.4056       85.8332   85.9174
 4     85.8021   85.9174        0.1606    0.0000       19.0341   19.1118
 5    -74.7255  -74.7823      -18.7024  -19.1118      137.5725  137.5396
 6    -85.9101  -85.9174     -137.6976 -137.5396        0.0643    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      8.1208    8.0931      115.7085  115.7129       66.8850   66.7967
 2    163.1317  163.2919      237.0126  236.7964       66.7918   66.7967
 3    163.0869  163.2919      116.0522  115.7129       70.3726   70.3887
 4   -120.9763 -121.0835     -155.5339 -155.1988       33.8207   33.5800
 5      3.8082    3.5920       91.9442   92.0162      155.1298  155.1988
 6   -125.7415 -125.5962       -2.8112   -3.5920      121.1523  121.0835
 Full mass-weighted force constant matrix:
 Low frequencies ---   -3.6085   -3.1447   -0.5678   -0.0009   -0.0004    0.0006
 Low frequencies ---   21.7276   33.7590   43.3801
 Diagonal vibrational polarizability:
      172.2891253      88.3924707     197.8956684
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     21.7222                33.7555                43.3794
 Red. masses --      4.8062                 6.9125                 4.4643
 Frc consts  --      0.0013                 0.0046                 0.0049
 IR Inten    --      4.9040                 4.2923                 0.6151
 RamAct Fr= 1--      4.8151                 3.7454                 1.7737
  Dep-P Fr= 1--      0.7425                 0.7488                 0.7389
  Dep-U Fr= 1--      0.8522                 0.8564                 0.8498
 Alpha2 Fr= 1--      0.0006                 0.0001                 0.0003
 Beta2  Fr= 1--      0.6839                 0.5346                 0.2512
 AlphaG Fr= 1--      0.0006                 0.0041                -0.0021
 Gamma2 Fr= 1--      1.3303                -0.4011                 1.5547
 Delta2 Fr= 1--      1.3892                -0.8221                 0.2321
 Raman1 Fr= 1--      19.261                 14.982                  7.095
 ROA1   Fr= 1--     172.161                -64.810                156.678
 CID1   Fr= 1--       8.939                 -4.326                 22.083
 Raman2 Fr= 1--       8.207                  6.415                  3.015
 ROA2   Fr= 1--      20.813                 -3.049                 35.455
 CID2   Fr= 1--       2.536                 -0.475                 11.760
 Raman3 Fr= 1--      16.414                 12.830                  6.030
 ROA3   Fr= 1--     172.161                -64.810                156.678
 CID3   Fr= 1--      10.489                 -5.051                 25.985
 RC180  Fr= 1--       0.704                  0.713                  0.700
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.00  -0.09    -0.02   0.01   0.06     0.01  -0.04  -0.13
     2   6     0.01   0.03   0.05    -0.01  -0.01  -0.03     0.01  -0.03  -0.10
     3   6    -0.02   0.00  -0.14    -0.01   0.03   0.08     0.01  -0.05  -0.11
     4   6    -0.00   0.03  -0.07    -0.01   0.02   0.03     0.01  -0.04  -0.05
     5   6     0.02   0.06   0.07    -0.01  -0.00  -0.06     0.01  -0.03  -0.06
     6   6     0.02   0.05   0.12    -0.01  -0.02  -0.09     0.00  -0.03  -0.08
     7   6    -0.03  -0.03  -0.17    -0.02   0.02   0.12     0.02  -0.04  -0.12
     8   1    -0.04  -0.02  -0.24    -0.02   0.05   0.14     0.02  -0.05  -0.11
     9   1     0.03   0.08   0.13    -0.01  -0.01  -0.10     0.00  -0.03  -0.03
    10   1     0.04   0.08   0.23    -0.01  -0.04  -0.16    -0.00  -0.03  -0.08
    11   6    -0.01   0.04  -0.09    -0.01   0.01   0.03     0.02  -0.02   0.05
    12   6    -0.03   0.23  -0.07    -0.02  -0.04   0.02     0.14  -0.08   0.08
    13   6     0.03  -0.08   0.05     0.06   0.01  -0.01    -0.08   0.04   0.05
    14   1    -0.00  -0.01  -0.21    -0.02   0.01   0.04     0.01   0.02   0.14
    15   1    -0.03   0.28   0.04    -0.03  -0.06  -0.01     0.15  -0.12  -0.00
    16   1    -0.03   0.25  -0.07    -0.02  -0.05   0.01     0.15  -0.05   0.17
    17   1    -0.03   0.30  -0.18    -0.03  -0.06   0.05     0.22  -0.12   0.10
    18   8     0.14  -0.17   0.18     0.30  -0.28   0.07    -0.07   0.06   0.09
    19   8    -0.07  -0.08   0.00    -0.13   0.35  -0.16    -0.18   0.09  -0.01
    20   1    -0.13  -0.00  -0.11    -0.25   0.53  -0.23    -0.17   0.07  -0.05
    21   6    -0.03  -0.03  -0.12    -0.02   0.01   0.09     0.02  -0.01  -0.06
    22   6    -0.01  -0.01   0.03    -0.02  -0.02  -0.01     0.02   0.00  -0.01
    23   6     0.01   0.02   0.10    -0.01  -0.03  -0.07     0.01  -0.01  -0.04
    24   8     0.00  -0.00   0.09    -0.02  -0.04  -0.05     0.02   0.04   0.09
    25   6    -0.02  -0.03   0.02    -0.03  -0.04   0.01     0.04   0.09   0.28
    26   1    -0.05  -0.05  -0.28    -0.02   0.04   0.20     0.03  -0.05  -0.16
    27   1    -0.04  -0.06  -0.18    -0.03   0.01   0.14     0.03  -0.00  -0.05
    28   1     0.03   0.04   0.21    -0.01  -0.05  -0.14     0.01   0.00  -0.01
    29   1     0.00   0.04  -0.07    -0.05  -0.09   0.08     0.19   0.04   0.31
    30   1    -0.05  -0.13  -0.02    -0.01   0.04   0.04    -0.09   0.15   0.30
    31   1    -0.01  -0.03   0.09    -0.03  -0.06  -0.04     0.05   0.13   0.41
                      4                      5                      6
                      A                      A                      A
 Frequencies --     76.2641               113.4371               138.8649
 Red. masses --      3.9031                 4.6318                 4.1208
 Frc consts  --      0.0134                 0.0351                 0.0468
 IR Inten    --      3.9924                 0.1951                 0.1777
 RamAct Fr= 1--      1.4231                 1.2844                 1.6826
  Dep-P Fr= 1--      0.7150                 0.4727                 0.7144
  Dep-U Fr= 1--      0.8338                 0.6419                 0.8334
 Alpha2 Fr= 1--      0.0009                 0.0072                 0.0010
 Beta2  Fr= 1--      0.1978                 0.1374                 0.2337
 AlphaG Fr= 1--      0.0145                -0.0249                 0.0061
 Gamma2 Fr= 1--     -0.1635                -0.8823                 2.8138
 Delta2 Fr= 1--      0.2587                -0.6154                 1.5717
 Raman1 Fr= 1--       5.692                  5.137                  6.730
 ROA1   Fr= 1--      -7.414               -104.389                320.421
 CID1   Fr= 1--      -1.303                -20.319                 47.609
 Raman2 Fr= 1--       2.373                  1.649                  2.804
 ROA2   Fr= 1--      -5.993                -16.251                 54.958
 CID2   Fr= 1--      -2.525                 -9.855                 19.597
 Raman3 Fr= 1--       4.746                  3.298                  5.609
 ROA3   Fr= 1--      -7.414               -104.389                320.421
 CID3   Fr= 1--      -1.562                -31.653                 57.128
 RC180  Fr= 1--       0.668                  0.284                  0.667
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.01   0.00    -0.04   0.07  -0.08    -0.00  -0.08  -0.02
     2   6    -0.01   0.01  -0.02    -0.02   0.06  -0.09    -0.02  -0.09  -0.09
     3   6    -0.01   0.03   0.05    -0.03   0.10  -0.03    -0.00  -0.05   0.10
     4   6    -0.01   0.04   0.08    -0.02   0.10  -0.00     0.00  -0.04   0.12
     5   6    -0.00   0.04   0.10    -0.02   0.08  -0.08    -0.01  -0.07  -0.01
     6   6    -0.01   0.03   0.05    -0.02   0.06  -0.12    -0.02  -0.10  -0.11
     7   6    -0.03  -0.01  -0.06    -0.09   0.03  -0.09     0.02  -0.08  -0.09
     8   1    -0.02   0.03   0.04    -0.03   0.11  -0.00    -0.01  -0.04   0.15
     9   1     0.00   0.05   0.14    -0.02   0.09  -0.09    -0.01  -0.08  -0.03
    10   1    -0.00   0.03   0.06    -0.02   0.05  -0.16    -0.02  -0.12  -0.19
    11   6    -0.01   0.02   0.03     0.00   0.01   0.07    -0.01   0.03   0.06
    12   6    -0.09   0.02   0.01     0.12  -0.16   0.09    -0.18   0.13   0.02
    13   6     0.07  -0.01   0.00     0.09  -0.02   0.04     0.03   0.04   0.03
    14   1    -0.02   0.00  -0.00    -0.11  -0.01   0.16     0.07   0.03  -0.02
    15   1    -0.08   0.04   0.04     0.26  -0.14  -0.02    -0.27   0.15   0.14
    16   1    -0.09  -0.02  -0.05     0.13  -0.31   0.15    -0.20   0.18  -0.11
    17   1    -0.15   0.04   0.02     0.05  -0.17   0.14    -0.23   0.16   0.01
    18   8     0.06  -0.03  -0.05     0.09  -0.04  -0.01     0.03   0.02  -0.04
    19   8     0.16  -0.02   0.05     0.18  -0.04   0.09     0.09   0.09   0.05
    20   1     0.15  -0.00   0.09     0.17  -0.01   0.13     0.09   0.10   0.10
    21   6    -0.03  -0.03  -0.12    -0.09   0.00  -0.04     0.02  -0.05  -0.09
    22   6    -0.03  -0.04  -0.13    -0.05   0.00   0.03     0.00  -0.01  -0.01
    23   6    -0.02  -0.02  -0.09    -0.01   0.02  -0.03    -0.03  -0.06  -0.07
    24   8    -0.03  -0.06  -0.19    -0.03  -0.03   0.19     0.01   0.10   0.19
    25   6    -0.01   0.04   0.26    -0.11  -0.14  -0.00     0.06   0.10  -0.05
    26   1    -0.04  -0.00  -0.05    -0.13   0.04  -0.12     0.05  -0.10  -0.12
    27   1    -0.04  -0.05  -0.16    -0.11  -0.01  -0.02     0.04  -0.04  -0.12
    28   1    -0.01  -0.03  -0.09     0.03   0.01  -0.01    -0.05  -0.04  -0.06
    29   1     0.18  -0.16   0.43    -0.17   0.01  -0.16     0.14   0.28  -0.28
    30   1    -0.20   0.30   0.35    -0.15  -0.33  -0.08     0.03  -0.18  -0.16
    31   1    -0.00   0.05   0.34    -0.08  -0.19   0.08     0.04   0.21   0.12
                      7                      8                      9
                      A                      A                      A
 Frequencies --    184.4744               202.9675               219.6740
 Red. masses --      3.3745                 3.9677                 1.0781
 Frc consts  --      0.0677                 0.0963                 0.0307
 IR Inten    --      0.9195                 1.8739                 0.3439
 RamAct Fr= 1--      0.0901                 1.6137                 0.2527
  Dep-P Fr= 1--      0.2992                 0.5556                 0.2534
  Dep-U Fr= 1--      0.4606                 0.7143                 0.4043
 Alpha2 Fr= 1--      0.0009                 0.0060                 0.0030
 Beta2  Fr= 1--      0.0069                 0.1921                 0.0170
 AlphaG Fr= 1--      0.0082                 0.0032                 0.0014
 Gamma2 Fr= 1--     -0.4731                -2.6062                 0.0823
 Delta2 Fr= 1--      0.0840                -1.3198                -0.0075
 Raman1 Fr= 1--       0.360                  6.455                  1.011
 ROA1   Fr= 1--     -42.730               -292.432                  7.661
 CID1   Fr= 1--    -118.587                -45.304                  7.579
 Raman2 Fr= 1--       0.083                  2.305                  0.204
 ROA2   Fr= 1--     -12.027                -51.991                  2.035
 CID2   Fr= 1--    -144.948                -22.551                  9.958
 Raman3 Fr= 1--       0.166                  4.611                  0.409
 ROA3   Fr= 1--     -42.730               -292.432                  7.661
 CID3   Fr= 1--    -257.488                -63.422                 18.746
 RC180  Fr= 1--      -0.079                  0.429                 -0.191
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.05  -0.14    -0.07  -0.09   0.01    -0.01  -0.00   0.00
     2   6    -0.02  -0.05  -0.14    -0.06  -0.08   0.07    -0.01  -0.00   0.00
     3   6    -0.02  -0.05  -0.18    -0.07  -0.03  -0.06    -0.01   0.00  -0.00
     4   6    -0.00  -0.00   0.01    -0.01   0.02  -0.08     0.00   0.01  -0.00
     5   6     0.01   0.05   0.20     0.00   0.00  -0.09     0.00   0.01  -0.00
     6   6     0.00   0.01   0.06     0.01  -0.05  -0.00     0.00   0.00  -0.00
     7   6    -0.00  -0.00   0.05    -0.07  -0.09   0.01    -0.01  -0.00   0.00
     8   1    -0.03  -0.07  -0.28    -0.14  -0.01  -0.07    -0.01   0.00  -0.01
     9   1     0.03   0.10   0.42     0.02   0.00  -0.14     0.00   0.01  -0.00
    10   1     0.01   0.03   0.16     0.07  -0.07   0.01     0.01  -0.00  -0.00
    11   6    -0.00   0.01   0.01     0.02   0.06  -0.01     0.00   0.02  -0.01
    12   6    -0.01   0.02   0.01     0.19   0.06   0.04    -0.01  -0.03  -0.02
    13   6     0.02   0.01   0.01     0.06   0.04   0.00     0.01   0.02  -0.00
    14   1     0.00   0.01   0.00    -0.02   0.05   0.02     0.02   0.03   0.01
    15   1    -0.00   0.03   0.02     0.35   0.13   0.02    -0.47  -0.34  -0.21
    16   1    -0.01   0.01  -0.00     0.21  -0.06   0.17    -0.04   0.52   0.03
    17   1    -0.03   0.03   0.00     0.17   0.12  -0.04     0.47  -0.31   0.12
    18   8     0.01   0.00  -0.01     0.07   0.02  -0.02     0.03   0.01   0.03
    19   8     0.04   0.01   0.01     0.12   0.04   0.03     0.02  -0.02   0.01
    20   1     0.04   0.01   0.03     0.11   0.05   0.06     0.01  -0.01  -0.01
    21   6     0.01   0.04   0.20    -0.05  -0.08   0.04    -0.01  -0.01   0.00
    22   6    -0.01  -0.01   0.01    -0.08  -0.07   0.06    -0.01  -0.01   0.00
    23   6    -0.02  -0.05  -0.18    -0.08  -0.07   0.14    -0.01  -0.01   0.00
    24   8    -0.01   0.02   0.04    -0.11   0.04  -0.07    -0.01   0.00   0.00
    25   6     0.00   0.02  -0.02     0.05   0.19  -0.05     0.00   0.02  -0.00
    26   1     0.01   0.02   0.14    -0.07  -0.10  -0.01    -0.01  -0.00   0.00
    27   1     0.03   0.10   0.44    -0.04  -0.08   0.02    -0.01  -0.01   0.00
    28   1    -0.03  -0.07  -0.26    -0.08  -0.06   0.17    -0.01  -0.01  -0.00
    29   1    -0.17  -0.06   0.11     0.06   0.06   0.09     0.01   0.02  -0.01
    30   1     0.21   0.14   0.04     0.24   0.34   0.02     0.00   0.01  -0.01
    31   1    -0.02  -0.03  -0.28    -0.03   0.30  -0.25    -0.00   0.03  -0.00
                     10                     11                     12
                      A                      A                      A
 Frequencies --    232.5275               252.8526               278.9220
 Red. masses --      1.5312                 2.6408                 2.7921
 Frc consts  --      0.0488                 0.0995                 0.1280
 IR Inten    --      0.3953                 4.3300                 1.5316
 RamAct Fr= 1--      1.5805                 3.9130                 3.2267
  Dep-P Fr= 1--      0.7465                 0.1418                 0.3710
  Dep-U Fr= 1--      0.8549                 0.2483                 0.5413
 Alpha2 Fr= 1--      0.0001                 0.0618                 0.0264
 Beta2  Fr= 1--      0.2252                 0.1619                 0.2911
 AlphaG Fr= 1--     -0.0004                -0.0223                 0.0703
 Gamma2 Fr= 1--      1.1891                -0.8981                 1.4490
 Delta2 Fr= 1--      0.1707                 0.0492                 0.2664
 Raman1 Fr= 1--       6.322                 15.652                 12.907
 ROA1   Fr= 1--     119.612                -84.647                147.624
 CID1   Fr= 1--      18.920                 -5.408                 11.438
 Raman2 Fr= 1--       2.702                  1.943                  3.493
 ROA2   Fr= 1--      27.172                -21.949                 32.644
 CID2   Fr= 1--      10.056                -11.294                  9.346
 Raman3 Fr= 1--       5.404                  3.887                  6.986
 ROA3   Fr= 1--     119.612                -84.647                147.624
 CID3   Fr= 1--      22.133                -21.778                 21.132
 RC180  Fr= 1--       0.710                 -0.503                  0.083
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00   0.05    -0.01   0.02   0.00     0.00   0.01   0.10
     2   6    -0.01  -0.01  -0.01     0.03  -0.00  -0.01    -0.02  -0.01  -0.01
     3   6    -0.01   0.03   0.02    -0.02   0.09   0.03     0.02   0.02   0.16
     4   6     0.00   0.03  -0.01    -0.01   0.10   0.02     0.03  -0.01   0.02
     5   6     0.02   0.04   0.05     0.04   0.08  -0.01     0.00   0.00   0.06
     6   6     0.02   0.02   0.05     0.05   0.03  -0.02    -0.00   0.01   0.06
     7   6    -0.02  -0.00   0.07    -0.04  -0.01  -0.03    -0.00  -0.01  -0.01
     8   1    -0.04   0.04   0.02    -0.05   0.11   0.05     0.01   0.04   0.23
     9   1     0.03   0.06   0.08     0.08   0.11  -0.03    -0.01  -0.00   0.07
    10   1     0.04   0.01   0.07     0.09   0.01  -0.04     0.01   0.01   0.08
    11   6     0.01   0.01  -0.04    -0.03   0.05  -0.02     0.04  -0.02  -0.05
    12   6     0.06  -0.02  -0.03    -0.12  -0.14  -0.06     0.14   0.05  -0.02
    13   6    -0.00  -0.00  -0.02    -0.02   0.02  -0.00     0.01  -0.02  -0.04
    14   1    -0.02   0.01  -0.02    -0.06   0.05   0.03     0.04  -0.03  -0.07
    15   1     0.13   0.00  -0.05    -0.03  -0.13  -0.12     0.17   0.06  -0.02
    16   1     0.07  -0.09   0.02    -0.12  -0.33  -0.18     0.15   0.09   0.10
    17   1     0.03  -0.01  -0.03    -0.31  -0.16   0.08     0.24   0.06  -0.10
    18   8     0.00   0.01   0.01     0.01   0.01   0.08    -0.00   0.01  -0.02
    19   8    -0.03  -0.04  -0.03    -0.06  -0.07  -0.00    -0.04  -0.04  -0.07
    20   1    -0.03  -0.04  -0.06    -0.08  -0.04  -0.08    -0.03  -0.06  -0.11
    21   6    -0.02  -0.03   0.01    -0.02  -0.07  -0.02    -0.01  -0.02  -0.11
    22   6    -0.02  -0.04  -0.04     0.02  -0.07   0.02    -0.03  -0.00  -0.07
    23   6    -0.01  -0.05  -0.08     0.04  -0.06  -0.00    -0.04  -0.03  -0.14
    24   8    -0.02   0.01   0.02     0.01  -0.02   0.04    -0.03   0.05   0.13
    25   6     0.03   0.05  -0.02     0.15   0.09  -0.03    -0.06   0.00   0.02
    26   1    -0.03   0.01   0.11    -0.08  -0.00  -0.04     0.00  -0.02  -0.00
    27   1    -0.02  -0.03   0.00    -0.04  -0.09  -0.01    -0.01  -0.02  -0.15
    28   1    -0.01  -0.06  -0.12     0.07  -0.08   0.01    -0.05  -0.03  -0.17
    29   1     0.38   0.28  -0.36     0.03  -0.05   0.15    -0.39  -0.12   0.25
    30   1    -0.28  -0.31  -0.18     0.45   0.25   0.06     0.25   0.22   0.12
    31   1     0.04   0.23   0.49     0.07   0.14  -0.36    -0.08  -0.14  -0.42
                     13                     14                     15
                      A                      A                      A
 Frequencies --    309.4119               379.9418               405.6269
 Red. masses --      4.0225                 5.2758                 4.7443
 Frc consts  --      0.2269                 0.4487                 0.4599
 IR Inten    --      7.8900                 1.8029                 2.6533
 RamAct Fr= 1--     11.5169                 4.4407                 0.7817
  Dep-P Fr= 1--      0.1546                 0.5118                 0.6788
  Dep-U Fr= 1--      0.2678                 0.6771                 0.8087
 Alpha2 Fr= 1--      0.1760                 0.0207                 0.0010
 Beta2  Fr= 1--      0.5140                 0.5011                 0.1053
 AlphaG Fr= 1--      0.0241                -0.1119                 0.0192
 Gamma2 Fr= 1--      0.5042                -4.0876                -0.7251
 Delta2 Fr= 1--      0.4091                -0.0514                -0.4689
 Raman1 Fr= 1--      46.068                 17.763                  3.127
 ROA1   Fr= 1--      61.490               -394.054                -84.616
 CID1   Fr= 1--       1.335                -22.184                -27.063
 Raman2 Fr= 1--       6.168                  6.014                  1.264
 ROA2   Fr= 1--       8.827                -97.692                -13.651
 CID2   Fr= 1--       1.431                -16.245                -10.798
 Raman3 Fr= 1--      12.336                 12.028                  2.528
 ROA3   Fr= 1--      61.490               -394.054                -84.616
 CID3   Fr= 1--       4.985                -32.763                -33.466
 RC180  Fr= 1--      -0.464                  0.354                  0.617
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.09  -0.00    -0.07  -0.07   0.10    -0.04  -0.12  -0.03
     2   6     0.03   0.07  -0.01    -0.02  -0.09   0.10     0.01  -0.15  -0.05
     3   6    -0.01   0.07  -0.00    -0.13  -0.02  -0.06    -0.08   0.10   0.10
     4   6    -0.07   0.02  -0.02    -0.12   0.01  -0.16    -0.03   0.18   0.11
     5   6    -0.05   0.03  -0.00    -0.02  -0.02  -0.10     0.09   0.14   0.08
     6   6    -0.03   0.05   0.01     0.01  -0.07   0.15     0.11  -0.10  -0.10
     7   6    -0.04   0.05  -0.00     0.07   0.01   0.07     0.05  -0.08  -0.08
     8   1     0.03   0.06   0.01    -0.19  -0.00  -0.07    -0.21   0.16   0.13
     9   1    -0.03   0.04  -0.01     0.05   0.03  -0.16     0.22   0.24   0.11
    10   1    -0.07   0.07   0.02     0.06  -0.07   0.26     0.24  -0.17  -0.18
    11   6    -0.09  -0.08   0.05    -0.16   0.15  -0.06    -0.08   0.06   0.01
    12   6     0.06   0.12   0.12     0.00  -0.05  -0.05     0.04   0.03   0.06
    13   6    -0.09  -0.10   0.01    -0.11   0.09   0.02    -0.06  -0.04  -0.04
    14   1    -0.14  -0.12   0.01    -0.15   0.18   0.02    -0.15   0.03   0.03
    15   1    -0.06   0.07   0.16     0.13  -0.08  -0.25     0.08   0.00  -0.02
    16   1     0.06   0.37   0.30     0.02  -0.18   0.05     0.05   0.07   0.21
    17   1     0.33   0.11  -0.03    -0.02  -0.11   0.06     0.16  -0.00   0.03
    18   8    -0.12  -0.16  -0.17     0.00  -0.07   0.03    -0.05  -0.10  -0.10
    19   8     0.00   0.05   0.03     0.09   0.05   0.14    -0.07  -0.08  -0.04
    20   1     0.01   0.05   0.16    -0.00   0.21   0.20    -0.09  -0.05  -0.10
    21   6    -0.03  -0.04  -0.01     0.07   0.08  -0.09     0.07   0.06   0.05
    22   6     0.04  -0.07  -0.00     0.10   0.07  -0.13     0.07   0.08   0.09
    23   6     0.06  -0.03  -0.02    -0.01  -0.02  -0.11    -0.00  -0.01   0.09
    24   8     0.06  -0.09   0.04     0.15   0.05   0.05     0.06   0.09  -0.09
    25   6     0.21   0.02  -0.01     0.05  -0.08   0.03    -0.08  -0.02  -0.00
    26   1    -0.10   0.08  -0.00     0.22  -0.04   0.12     0.16  -0.14  -0.15
    27   1    -0.07  -0.08  -0.00     0.07   0.09  -0.10     0.08   0.07   0.05
    28   1     0.12  -0.06  -0.03    -0.16   0.04  -0.14    -0.12   0.04   0.09
    29   1     0.28  -0.01  -0.00    -0.09  -0.07   0.05    -0.14   0.00  -0.01
    30   1     0.34   0.01  -0.01     0.05  -0.05   0.04    -0.25  -0.01  -0.01
    31   1     0.14   0.16  -0.09     0.10  -0.20  -0.04    -0.00  -0.17   0.11
                     16                     17                     18
                      A                      A                      A
 Frequencies --    413.9166               417.0567               483.6631
 Red. masses --      5.0462                 3.2451                 3.9238
 Frc consts  --      0.5094                 0.3326                 0.5408
 IR Inten    --      5.1257                 0.3325                 3.9036
 RamAct Fr= 1--      1.0309                 2.9288                 2.1739
  Dep-P Fr= 1--      0.6232                 0.7428                 0.5744
  Dep-U Fr= 1--      0.7679                 0.8524                 0.7297
 Alpha2 Fr= 1--      0.0024                 0.0004                 0.0072
 Beta2  Fr= 1--      0.1319                 0.4161                 0.2644
 AlphaG Fr= 1--      0.0055                -0.0040                 0.0128
 Gamma2 Fr= 1--     -0.0156                 0.3166                -0.5713
 Delta2 Fr= 1--     -0.7502                -0.3359                -0.1555
 Raman1 Fr= 1--       4.123                 11.715                  8.696
 ROA1   Fr= 1--     -25.501                 19.644                -59.820
 CID1   Fr= 1--      -6.184                  1.677                 -6.879
 Raman2 Fr= 1--       1.583                  4.993                  3.173
 ROA2   Fr= 1--       5.628                 10.286                -12.466
 CID2   Fr= 1--       3.555                  2.060                 -3.929
 Raman3 Fr= 1--       3.166                  9.986                  6.345
 ROA3   Fr= 1--     -25.501                 19.644                -59.820
 CID3   Fr= 1--      -8.054                  1.967                 -9.427
 RC180  Fr= 1--       0.536                  0.705                  0.459
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.10  -0.00  -0.03    -0.00   0.01   0.08    -0.06  -0.07  -0.03
     2   6    -0.09  -0.00  -0.05    -0.01  -0.02  -0.04    -0.06  -0.05   0.07
     3   6    -0.09  -0.06   0.11    -0.02  -0.03  -0.15    -0.07   0.03  -0.08
     4   6    -0.08  -0.05   0.12    -0.00   0.01   0.03    -0.01   0.08  -0.02
     5   6    -0.15  -0.07   0.12     0.01   0.04   0.15    -0.04   0.07  -0.14
     6   6    -0.17  -0.05  -0.06    -0.01  -0.05  -0.18    -0.01   0.01   0.10
     7   6    -0.03   0.05  -0.08     0.02   0.05   0.22     0.01  -0.01   0.06
     8   1    -0.05  -0.07   0.12    -0.04  -0.09  -0.38    -0.18   0.09  -0.03
     9   1    -0.19  -0.10   0.18     0.02   0.08   0.29    -0.01   0.07  -0.26
    10   1    -0.25  -0.03  -0.13    -0.01  -0.09  -0.35     0.09  -0.02   0.17
    11   6    -0.04   0.07  -0.05    -0.00   0.00   0.00     0.06  -0.10   0.13
    12   6     0.10   0.02  -0.04     0.00   0.01   0.01    -0.08   0.02   0.18
    13   6     0.05   0.09  -0.08     0.00  -0.00  -0.01     0.15  -0.05  -0.01
    14   1     0.03   0.11  -0.02    -0.01   0.00   0.00    -0.08  -0.17   0.14
    15   1     0.24   0.04  -0.12     0.02   0.01   0.01    -0.21   0.05   0.39
    16   1     0.12  -0.05   0.15     0.01   0.01   0.03    -0.09   0.14   0.05
    17   1     0.15   0.03  -0.08     0.01   0.01   0.00    -0.09   0.09   0.09
    18   8     0.11   0.10   0.07     0.00   0.00  -0.01     0.06   0.10  -0.01
    19   8     0.02  -0.08  -0.09    -0.00  -0.02  -0.01    -0.06  -0.05  -0.15
    20   1    -0.02  -0.04  -0.24    -0.02   0.01  -0.04     0.16  -0.39  -0.17
    21   6    -0.02   0.11   0.02    -0.01  -0.04  -0.18     0.00   0.05  -0.03
    22   6     0.05   0.07   0.06     0.00  -0.02  -0.08     0.02   0.02  -0.10
    23   6    -0.03   0.06   0.05     0.01   0.03   0.11    -0.05  -0.01  -0.02
    24   8     0.12  -0.12  -0.03     0.01   0.01   0.04     0.06   0.00   0.03
    25   6     0.22  -0.09   0.00     0.00  -0.00   0.01     0.05  -0.04   0.01
    26   1     0.03   0.01  -0.13     0.04   0.10   0.43     0.09  -0.01   0.19
    27   1    -0.03   0.10   0.02    -0.02  -0.07  -0.31     0.02   0.08   0.06
    28   1    -0.11   0.09   0.05     0.01   0.08   0.32    -0.14   0.05   0.05
    29   1     0.32  -0.09  -0.02    -0.06  -0.02   0.04     0.02  -0.03   0.01
    30   1     0.24  -0.10  -0.00     0.06   0.03   0.02     0.06  -0.04   0.01
    31   1     0.17   0.03   0.02     0.00  -0.03  -0.08     0.06  -0.05  -0.00
                     19                     20                     21
                      A                      A                      A
 Frequencies --    484.0774               518.1040               534.9537
 Red. masses --      2.5924                 2.8962                 5.9310
 Frc consts  --      0.3579                 0.4581                 1.0000
 IR Inten    --     15.9038                35.9439                 4.1766
 RamAct Fr= 1--      0.2274                 2.1591                20.2028
  Dep-P Fr= 1--      0.7398                 0.6787                 0.3349
  Dep-U Fr= 1--      0.8504                 0.8086                 0.5018
 Alpha2 Fr= 1--      0.0000                 0.0027                 0.1861
 Beta2  Fr= 1--      0.0322                 0.2910                 1.6896
 AlphaG Fr= 1--     -0.0001                -0.0617                -0.0890
 Gamma2 Fr= 1--     -0.5573                 0.9473                 0.2844
 Delta2 Fr= 1--      0.1106                 0.4925                -0.0816
 Raman1 Fr= 1--       0.910                  8.636                 80.811
 ROA1   Fr= 1--     -49.960                106.702                 24.691
 CID1   Fr= 1--     -54.917                 12.355                  0.306
 Raman2 Fr= 1--       0.387                  3.492                 20.275
 ROA2   Fr= 1--     -14.260                 18.796                  7.478
 CID2   Fr= 1--     -36.864                  5.383                  0.369
 Raman3 Fr= 1--       0.774                  6.983                 40.549
 ROA3   Fr= 1--     -49.960                106.702                 24.691
 CID3   Fr= 1--     -64.577                 15.280                  0.609
 RC180  Fr= 1--       0.701                  0.617                  0.004
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.04   0.20    -0.01  -0.04   0.04     0.12  -0.00  -0.01
     2   6     0.01   0.04   0.19    -0.07  -0.04  -0.02    -0.09   0.07  -0.01
     3   6    -0.02  -0.02  -0.12    -0.01   0.04   0.02     0.07   0.10  -0.02
     4   6     0.00   0.02   0.03     0.02   0.05  -0.04    -0.06   0.05  -0.01
     5   6     0.00   0.02   0.04    -0.05   0.11   0.04    -0.25   0.12  -0.01
     6   6    -0.00  -0.02  -0.09    -0.04   0.00  -0.04    -0.23   0.10  -0.01
     7   6    -0.01  -0.02  -0.10     0.03  -0.04  -0.01     0.21  -0.05  -0.00
     8   1    -0.05  -0.10  -0.45    -0.10   0.08   0.05     0.04   0.10  -0.03
     9   1     0.00  -0.00  -0.07    -0.04   0.12   0.10    -0.31   0.07   0.01
    10   1    -0.01  -0.10  -0.40     0.03  -0.03  -0.05    -0.26   0.11  -0.00
    11   6     0.01  -0.01   0.02     0.06  -0.12  -0.07    -0.06   0.03  -0.00
    12   6    -0.01   0.00   0.03     0.03  -0.02  -0.14    -0.00   0.01   0.02
    13   6     0.02  -0.00  -0.00     0.05  -0.13   0.08    -0.01   0.05  -0.04
    14   1    -0.01  -0.02   0.02    -0.05  -0.24  -0.21    -0.06   0.05   0.04
    15   1    -0.01   0.01   0.05    -0.04  -0.03  -0.08     0.05   0.02  -0.01
    16   1    -0.01   0.02   0.02     0.02   0.01  -0.21     0.01   0.00   0.10
    17   1    -0.01   0.01   0.01     0.02  -0.02  -0.15     0.04   0.02  -0.01
    18   8     0.01   0.01  -0.01    -0.07   0.03   0.07     0.03   0.02   0.02
    19   8    -0.01  -0.02  -0.02     0.00   0.16   0.03     0.02  -0.03  -0.02
    20   1    -0.03   0.02  -0.06     0.40  -0.40   0.50    -0.09   0.12  -0.13
    21   6     0.00   0.02   0.05     0.02   0.02  -0.00     0.26  -0.23   0.04
    22   6     0.01   0.02   0.07     0.01   0.04   0.04     0.07  -0.14   0.03
    23   6    -0.01  -0.03  -0.12    -0.06  -0.00   0.02    -0.04  -0.17   0.04
    24   8     0.01  -0.00  -0.01     0.02  -0.03  -0.01     0.04   0.08  -0.02
    25   6     0.00  -0.00   0.00     0.04  -0.03   0.00    -0.08  -0.00   0.01
    26   1    -0.02  -0.11  -0.44     0.07  -0.07  -0.07     0.13  -0.02  -0.01
    27   1    -0.01  -0.02  -0.11     0.05   0.03  -0.08     0.21  -0.26   0.05
    28   1    -0.04  -0.11  -0.47    -0.12   0.02  -0.02     0.12  -0.24   0.05
    29   1     0.01  -0.01   0.01     0.06  -0.04   0.00    -0.18   0.01   0.01
    30   1    -0.00   0.00   0.00     0.05  -0.03   0.00    -0.18   0.01   0.01
    31   1     0.01  -0.01   0.00     0.03  -0.01   0.00    -0.00  -0.16   0.04
                     22                     23                     24
                      A                      A                      A
 Frequencies --    562.1624               583.2299               600.4842
 Red. masses --      1.8005                 2.5737                 2.7697
 Frc consts  --      0.3353                 0.5158                 0.5884
 IR Inten    --     22.6008                39.0534                 2.6734
 RamAct Fr= 1--      7.6469                 5.1234                 4.3841
  Dep-P Fr= 1--      0.4021                 0.2009                 0.4836
  Dep-U Fr= 1--      0.5736                 0.3346                 0.6520
 Alpha2 Fr= 1--      0.0562                 0.0694                 0.0233
 Beta2  Fr= 1--      0.7311                 0.2857                 0.4764
 AlphaG Fr= 1--     -0.3111                 0.2710                 0.0806
 Gamma2 Fr= 1--      4.2836                -0.1168                -0.1469
 Delta2 Fr= 1--      2.5547                -1.3842                 0.0956
 Raman1 Fr= 1--      30.588                 20.493                 17.536
 ROA1   Fr= 1--     492.974                -55.505                -11.046
 CID1   Fr= 1--      16.117                 -2.708                 -0.630
 Raman2 Fr= 1--       8.773                  3.428                  5.717
 ROA2   Fr= 1--      82.368                  8.270                 -4.291
 CID2   Fr= 1--       9.389                  2.412                 -0.751
 Raman3 Fr= 1--      17.546                  6.857                 11.433
 ROA3   Fr= 1--     492.974                -55.505                -11.046
 CID3   Fr= 1--      28.097                 -8.095                 -0.966
 RC180  Fr= 1--       0.147                 -0.331                  0.304
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.06   0.01    -0.09   0.05   0.01     0.03   0.02   0.09
     2   6    -0.05  -0.02  -0.00     0.00  -0.02  -0.03     0.01  -0.04  -0.15
     3   6     0.04   0.02   0.00    -0.07  -0.01   0.02     0.01   0.02  -0.00
     4   6     0.06   0.03  -0.02    -0.03  -0.02  -0.04    -0.03  -0.04  -0.19
     5   6    -0.02   0.07  -0.02     0.01  -0.02   0.01     0.00  -0.00   0.01
     6   6    -0.02   0.02  -0.00     0.02  -0.00  -0.00     0.00  -0.02   0.00
     7   6     0.05  -0.06   0.01    -0.09   0.08  -0.01     0.01  -0.01   0.06
     8   1    -0.04   0.04  -0.01    -0.06  -0.01   0.04     0.03   0.06   0.20
     9   1    -0.03   0.07   0.01     0.03   0.01   0.09     0.04   0.10   0.37
    10   1     0.06  -0.00   0.03     0.01   0.02   0.07     0.03   0.07   0.36
    11   6     0.07  -0.03   0.01     0.03  -0.13  -0.01    -0.02   0.00   0.04
    12   6     0.00  -0.00  -0.02     0.00  -0.01  -0.02    -0.04  -0.00   0.09
    13   6    -0.00  -0.02   0.02     0.06  -0.08   0.02    -0.00   0.04  -0.02
    14   1     0.05  -0.04   0.01    -0.06  -0.18  -0.06    -0.03   0.03   0.11
    15   1    -0.06  -0.00   0.04    -0.05   0.02   0.10    -0.08   0.01   0.15
    16   1    -0.01   0.02  -0.11    -0.00   0.06  -0.05    -0.05   0.02   0.04
    17   1    -0.04   0.01  -0.01     0.02   0.04  -0.11    -0.07   0.02   0.08
    18   8    -0.03   0.00  -0.03    -0.03   0.08   0.04     0.04   0.01   0.00
    19   8     0.02  -0.03   0.05     0.06   0.02   0.01     0.00  -0.02  -0.03
    20   1    -0.47   0.68  -0.31    -0.37   0.64  -0.25     0.07  -0.11  -0.02
    21   6     0.02   0.04  -0.01    -0.05  -0.02   0.00    -0.00  -0.01  -0.06
    22   6    -0.05   0.05  -0.01     0.09  -0.04   0.04    -0.00   0.07   0.23
    23   6    -0.06   0.06  -0.01     0.03  -0.10   0.02     0.01   0.02  -0.03
    24   8    -0.04  -0.08   0.02     0.11   0.12  -0.04    -0.03  -0.03  -0.04
    25   6     0.05  -0.03   0.00    -0.02   0.01  -0.00    -0.00   0.00  -0.01
    26   1     0.09  -0.08   0.02    -0.12   0.08  -0.05     0.00  -0.08  -0.23
    27   1     0.11   0.11  -0.04    -0.19  -0.14  -0.03    -0.00  -0.10  -0.54
    28   1    -0.12   0.08  -0.00     0.03  -0.11  -0.00    -0.00  -0.04  -0.27
    29   1     0.13  -0.04  -0.00    -0.15   0.03   0.01     0.04  -0.02   0.01
    30   1     0.13  -0.04   0.00    -0.15   0.04  -0.00     0.01   0.02   0.00
    31   1    -0.01   0.10  -0.02     0.06  -0.18   0.04    -0.02   0.04  -0.02
                     25                     26                     27
                      A                      A                      A
 Frequencies --    630.3657               690.0618               697.3935
 Red. masses --      5.1648                 3.8696                 4.9659
 Frc consts  --      1.2092                 1.0856                 1.4230
 IR Inten    --      0.7329                 9.4380                 2.4551
 RamAct Fr= 1--      1.0465                 3.4173                 0.9870
  Dep-P Fr= 1--      0.5799                 0.1437                 0.1148
  Dep-U Fr= 1--      0.7341                 0.2512                 0.2060
 Alpha2 Fr= 1--      0.0033                 0.0537                 0.0167
 Beta2  Fr= 1--      0.1280                 0.1431                 0.0339
 AlphaG Fr= 1--      0.0423                -0.3327                 0.0221
 Gamma2 Fr= 1--      0.9343                -0.2218                -1.2304
 Delta2 Fr= 1--      0.1719                 0.7741                -0.3892
 Raman1 Fr= 1--       4.186                 13.669                  3.948
 ROA1   Fr= 1--      95.199                  3.476               -130.571
 CID1   Fr= 1--      22.742                  0.254                -33.073
 Raman2 Fr= 1--       1.536                  1.717                  0.407
 ROA2   Fr= 1--      21.049                -11.516                -26.416
 CID2   Fr= 1--      13.699                 -6.707                -64.959
 Raman3 Fr= 1--       3.073                  3.434                  0.813
 ROA3   Fr= 1--      95.199                  3.476               -130.571
 CID3   Fr= 1--      30.979                  1.012               -160.542
 RC180  Fr= 1--       0.468                 -0.498                 -0.588
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.11   0.01   0.02     0.02  -0.03  -0.11    -0.05  -0.00  -0.07
     2   6    -0.17   0.03  -0.02     0.03  -0.02  -0.03    -0.05   0.02  -0.02
     3   6    -0.06  -0.18   0.03     0.03   0.04  -0.08    -0.09  -0.11  -0.00
     4   6     0.16  -0.05  -0.01     0.01   0.07   0.24    -0.01   0.01   0.16
     5   6     0.07   0.04  -0.03    -0.08  -0.03  -0.08     0.14  -0.01  -0.05
     6   6     0.02   0.23  -0.05    -0.05  -0.06   0.13     0.13   0.16   0.02
     7   6    -0.00   0.12  -0.01    -0.04  -0.02   0.14     0.15   0.16   0.03
     8   1    -0.11  -0.15   0.07     0.02  -0.00  -0.25    -0.09  -0.15  -0.13
     9   1    -0.11  -0.08   0.06    -0.07  -0.10  -0.45     0.10  -0.09  -0.31
    10   1     0.08   0.22   0.03    -0.08  -0.07   0.05     0.15   0.13  -0.07
    11   6     0.17   0.11   0.05     0.04   0.05  -0.00    -0.13  -0.05  -0.04
    12   6     0.02   0.01  -0.02     0.04   0.01  -0.09    -0.03  -0.01   0.03
    13   6    -0.02   0.07   0.06     0.06  -0.03   0.07    -0.06  -0.07  -0.10
    14   1     0.28   0.17   0.08     0.05   0.01  -0.11    -0.14  -0.06  -0.05
    15   1    -0.09  -0.06  -0.05     0.08  -0.02  -0.21     0.10   0.05   0.02
    16   1     0.00  -0.05  -0.30     0.05  -0.04  -0.06    -0.00   0.01   0.32
    17   1    -0.16  -0.07   0.20     0.05  -0.05  -0.01     0.13   0.04  -0.12
    18   8     0.02  -0.10  -0.15    -0.00  -0.01  -0.06    -0.06   0.02   0.14
    19   8    -0.11  -0.03   0.09    -0.06   0.00   0.05     0.11   0.03  -0.11
    20   1     0.06  -0.30   0.03    -0.06  -0.02  -0.06     0.03   0.19   0.14
    21   6     0.02  -0.00  -0.02    -0.06  -0.04  -0.10     0.14   0.01  -0.08
    22   6     0.04  -0.02   0.06     0.02   0.06   0.21    -0.02   0.01   0.12
    23   6    -0.15  -0.14   0.03     0.04   0.02  -0.07    -0.09  -0.07  -0.02
    24   8     0.08   0.04  -0.02     0.03   0.02  -0.04    -0.10  -0.10   0.01
    25   6     0.05  -0.04   0.01     0.00   0.00  -0.01    -0.02  -0.00  -0.00
    26   1    -0.00   0.11  -0.06    -0.07  -0.02   0.14     0.21   0.14   0.05
    27   1    -0.09  -0.11  -0.11    -0.08  -0.12  -0.44     0.13  -0.02  -0.24
    28   1    -0.20  -0.14  -0.04     0.04  -0.05  -0.34    -0.09  -0.11  -0.16
    29   1    -0.01  -0.03   0.01    -0.02  -0.00   0.01     0.09  -0.03  -0.00
    30   1    -0.02  -0.02   0.01    -0.05   0.03  -0.00     0.08  -0.01   0.00
    31   1     0.08  -0.12   0.02     0.02  -0.05   0.00    -0.09   0.15  -0.03
                     28                     29                     30
                      A                      A                      A
 Frequencies --    737.6486               777.4397               783.6471
 Red. masses --      5.6038                 3.3565                 3.1645
 Frc consts  --      1.7965                 1.1953                 1.1450
 IR Inten    --      6.3277                 1.8537                 1.4997
 RamAct Fr= 1--     19.0902                36.8214                31.9448
  Dep-P Fr= 1--      0.0642                 0.0858                 0.0982
  Dep-U Fr= 1--      0.1206                 0.1580                 0.1789
 Alpha2 Fr= 1--      0.3645                 0.6674                 0.5617
 Beta2  Fr= 1--      0.3837                 0.9696                 0.9526
 AlphaG Fr= 1--     -0.1034                 0.1073                -0.2156
 Gamma2 Fr= 1--     -2.3292                 1.9048                -0.3283
 Delta2 Fr= 1--      0.0094                -0.1241                 0.7235
 Raman1 Fr= 1--      76.361                147.286                127.779
 ROA1   Fr= 1--    -223.304                178.885                 -8.363
 CID1   Fr= 1--      -2.924                  1.215                 -0.065
 Raman2 Fr= 1--       4.604                 11.636                 11.431
 ROA2   Fr= 1--     -55.976                 46.707                -13.666
 CID2   Fr= 1--     -12.157                  4.014                 -1.196
 Raman3 Fr= 1--       9.209                 23.271                 22.862
 ROA3   Fr= 1--    -223.304                178.885                 -8.363
 CID3   Fr= 1--     -24.249                  7.687                 -0.366
 RC180  Fr= 1--      -0.759                 -0.684                 -0.642
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.08   0.03    -0.01   0.03  -0.17    -0.02  -0.09  -0.14
     2   6     0.04  -0.03  -0.01    -0.01  -0.04   0.18     0.03   0.11   0.16
     3   6    -0.10   0.02  -0.00     0.05   0.10   0.01    -0.06  -0.07   0.06
     4   6    -0.11   0.01  -0.04     0.01   0.00  -0.08    -0.03  -0.04  -0.11
     5   6     0.02  -0.09   0.01    -0.02   0.02   0.08     0.03   0.01   0.07
     6   6     0.01  -0.13   0.01    -0.03  -0.17   0.01     0.02   0.12  -0.09
     7   6     0.15   0.22  -0.08     0.02   0.17  -0.02    -0.01  -0.13   0.04
     8   1    -0.05   0.01   0.04     0.09   0.15   0.25    -0.07   0.01   0.35
     9   1     0.13   0.02   0.13     0.06   0.06  -0.05    -0.04  -0.04   0.11
    10   1    -0.04  -0.08   0.13     0.03  -0.26  -0.24    -0.06   0.12  -0.24
    11   6    -0.05   0.07  -0.00     0.09  -0.06   0.02    -0.07   0.03  -0.02
    12   6     0.00   0.01  -0.05     0.03  -0.01  -0.01    -0.03   0.00   0.02
    13   6     0.26  -0.09   0.20    -0.09   0.09  -0.06     0.09  -0.05   0.06
    14   1    -0.23  -0.13  -0.26     0.14   0.04   0.20    -0.16  -0.06  -0.13
    15   1     0.08  -0.06  -0.27    -0.12   0.03   0.21     0.05  -0.02  -0.10
    16   1     0.02  -0.08   0.01     0.00   0.08  -0.21    -0.01  -0.05   0.14
    17   1     0.03  -0.10   0.10    -0.06   0.08  -0.09     0.02  -0.05   0.07
    18   8     0.05   0.08  -0.15     0.02  -0.03   0.01     0.01   0.04  -0.03
    19   8    -0.13   0.01   0.10     0.01  -0.01   0.02    -0.02   0.01   0.01
    20   1    -0.13  -0.05  -0.31     0.02  -0.02   0.06    -0.04   0.02  -0.10
    21   6     0.15   0.03   0.01     0.01   0.03  -0.10    -0.00  -0.06  -0.09
    22   6    -0.00  -0.05  -0.03     0.02   0.00   0.08    -0.00   0.03   0.07
    23   6     0.02  -0.05   0.02    -0.05  -0.09   0.01     0.05   0.07  -0.03
    24   8    -0.13  -0.11   0.04    -0.04  -0.03   0.00     0.02   0.02  -0.01
    25   6    -0.06   0.04  -0.00    -0.01   0.01  -0.00     0.00  -0.00  -0.00
    26   1     0.19   0.19  -0.13     0.02   0.26   0.29     0.04  -0.05   0.42
    27   1     0.10   0.00   0.03    -0.07   0.02   0.16     0.09   0.07   0.22
    28   1     0.06  -0.06   0.08    -0.15  -0.15  -0.36     0.10  -0.07  -0.48
    29   1     0.06   0.01  -0.01     0.03  -0.00  -0.00    -0.01   0.00   0.00
    30   1     0.06   0.01  -0.00     0.02   0.00  -0.00    -0.02   0.00  -0.00
    31   1    -0.15   0.21  -0.04    -0.04   0.06  -0.00     0.02  -0.03   0.02
                     31                     32                     33
                      A                      A                      A
 Frequencies --    820.2940               825.7872               837.0407
 Red. masses --      1.4563                 1.8502                 2.5557
 Frc consts  --      0.5773                 0.7434                 1.0550
 IR Inten    --     27.7997                 3.1969                 7.3304
 RamAct Fr= 1--      0.8064                 1.6148                 4.1173
  Dep-P Fr= 1--      0.2848                 0.3325                 0.3941
  Dep-U Fr= 1--      0.4434                 0.4990                 0.5654
 Alpha2 Fr= 1--      0.0087                 0.0150                 0.0311
 Beta2  Fr= 1--      0.0596                 0.1343                 0.3880
 AlphaG Fr= 1--     -0.0262                -0.0105                -0.0530
 Gamma2 Fr= 1--      0.3299                 0.5561                -0.2956
 Delta2 Fr= 1--      0.0553                 0.1687                 0.5086
 Raman1 Fr= 1--       3.226                  6.459                 16.469
 ROA1   Fr= 1--      33.439                 58.781                -12.100
 CID1   Fr= 1--      10.367                  9.100                 -0.735
 Raman2 Fr= 1--       0.715                  1.612                  4.656
 ROA2   Fr= 1--       7.475                 11.996                -11.163
 CID2   Fr= 1--      10.453                  7.443                 -2.398
 Raman3 Fr= 1--       1.430                  3.223                  9.312
 ROA3   Fr= 1--      33.439                 58.781                -12.100
 CID3   Fr= 1--      23.381                 18.236                 -1.299
 RC180  Fr= 1--      -0.113                 -0.002                  0.131
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.03   0.09     0.02  -0.00  -0.08     0.06   0.04   0.00
     2   6    -0.01  -0.01  -0.02    -0.01   0.01   0.10    -0.06  -0.04  -0.02
     3   6     0.02   0.01   0.00     0.05   0.01  -0.03     0.13   0.04  -0.01
     4   6     0.01   0.01   0.04     0.02   0.01   0.06     0.03  -0.03  -0.09
     5   6    -0.00  -0.02  -0.07    -0.00  -0.02  -0.06     0.03  -0.02   0.07
     6   6    -0.01  -0.02  -0.03    -0.01  -0.05  -0.09     0.00  -0.03   0.07
     7   6    -0.01  -0.01  -0.09    -0.01   0.03   0.06    -0.03   0.02  -0.02
     8   1     0.02  -0.07  -0.29     0.09   0.06   0.21     0.24   0.01   0.02
     9   1     0.02   0.07   0.28     0.03   0.11   0.48     0.01  -0.11  -0.30
    10   1     0.03   0.07   0.38     0.04   0.08   0.49     0.02  -0.16  -0.40
    11   6     0.00   0.02   0.00     0.00   0.07   0.01    -0.03   0.13  -0.02
    12   6    -0.00   0.01   0.00    -0.00   0.02   0.01    -0.04   0.04   0.08
    13   6    -0.00  -0.02  -0.00     0.00  -0.07   0.00     0.05  -0.12   0.04
    14   1     0.02   0.01  -0.03     0.04   0.04  -0.09    -0.02   0.05  -0.22
    15   1     0.02  -0.01  -0.05     0.05  -0.03  -0.16     0.08  -0.08  -0.27
    16   1     0.00  -0.02   0.02     0.01  -0.07   0.04    -0.02  -0.16   0.14
    17   1    -0.00  -0.02   0.05    -0.01  -0.07   0.15    -0.06  -0.15   0.37
    18   8    -0.01  -0.00   0.01    -0.04  -0.01   0.02    -0.06   0.01   0.02
    19   8     0.01   0.00  -0.02     0.03   0.01  -0.05     0.03   0.01  -0.07
    20   1     0.01   0.00   0.02    -0.00   0.06   0.03    -0.01   0.09  -0.01
    21   6    -0.01  -0.02  -0.09    -0.01   0.01   0.05    -0.04  -0.00  -0.01
    22   6     0.00   0.01   0.06    -0.01  -0.02  -0.08    -0.02   0.03   0.04
    23   6    -0.02  -0.00   0.03    -0.04  -0.01   0.05    -0.12  -0.05  -0.02
    24   8     0.00   0.00  -0.01     0.01   0.01   0.02     0.03   0.03  -0.02
    25   6     0.01  -0.00  -0.00     0.01  -0.01   0.00     0.04  -0.04   0.00
    26   1     0.01   0.13   0.46    -0.06  -0.04  -0.28    -0.11   0.07   0.06
    27   1     0.02   0.14   0.58    -0.05  -0.08  -0.30    -0.05  -0.00   0.06
    28   1    -0.05  -0.05  -0.20    -0.10  -0.08  -0.33    -0.21   0.06   0.27
    29   1     0.01  -0.00  -0.01    -0.00  -0.01   0.01     0.02  -0.03   0.00
    30   1    -0.00  -0.01  -0.00     0.01  -0.01   0.01     0.01  -0.03   0.00
    31   1     0.01  -0.00   0.03     0.02  -0.02  -0.01     0.06  -0.06   0.02
                     34                     35                     36
                      A                      A                      A
 Frequencies --    856.7248               896.5177               922.8416
 Red. masses --      3.2179                 1.6913                 1.4952
 Frc consts  --      1.3916                 0.8009                 0.7503
 IR Inten    --      3.4848                34.0012                 7.9393
 RamAct Fr= 1--     22.5810                 2.2819                 1.1696
  Dep-P Fr= 1--      0.1050                 0.7239                 0.4836
  Dep-U Fr= 1--      0.1901                 0.8398                 0.6520
 Alpha2 Fr= 1--      0.3905                 0.0010                 0.0062
 Beta2  Fr= 1--      0.7154                 0.3194                 0.1271
 AlphaG Fr= 1--      0.4113                 0.0049                 0.0509
 Gamma2 Fr= 1--     -0.4931                -0.2771                -0.0312
 Delta2 Fr= 1--     -0.7187                -0.1645                -0.0221
 Raman1 Fr= 1--      90.324                  9.128                  4.679
 ROA1   Fr= 1--     -70.338                -31.863                 -3.702
 CID1   Fr= 1--      -0.779                 -3.491                 -0.791
 Raman2 Fr= 1--       8.585                  3.833                  1.525
 ROA2   Fr= 1--      -6.086                 -5.334                 -0.571
 CID2   Fr= 1--      -0.709                 -1.392                 -0.374
 Raman3 Fr= 1--      17.170                  7.665                  3.050
 ROA3   Fr= 1--     -70.338                -31.863                 -3.702
 CID3   Fr= 1--      -4.097                 -4.157                 -1.214
 RC180  Fr= 1--      -0.620                  0.680                  0.304
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07  -0.03   0.03    -0.00  -0.01  -0.03     0.01   0.02   0.07
     2   6     0.07   0.01  -0.02     0.01   0.03   0.11    -0.01  -0.00  -0.03
     3   6    -0.13  -0.06   0.02     0.00   0.00   0.00    -0.01  -0.02  -0.16
     4   6     0.01   0.03  -0.03    -0.00   0.00   0.02    -0.01   0.01   0.06
     5   6    -0.08   0.03   0.01    -0.00  -0.01  -0.05     0.01  -0.02   0.00
     6   6    -0.07  -0.03   0.03    -0.00  -0.01  -0.05     0.01   0.01   0.02
     7   6     0.02   0.02  -0.01     0.00   0.00   0.02     0.00  -0.00   0.01
     8   1    -0.27   0.01   0.08     0.00   0.01   0.04     0.04   0.22   0.83
     9   1    -0.11  -0.01  -0.05     0.02   0.09   0.36     0.02  -0.02  -0.01
    10   1    -0.16  -0.03  -0.12     0.01   0.03   0.13    -0.02  -0.02  -0.10
    11   6     0.16   0.14   0.06    -0.00  -0.01   0.01    -0.01  -0.00   0.02
    12   6     0.06   0.05   0.03     0.00  -0.00  -0.01     0.01  -0.00  -0.03
    13   6    -0.04  -0.11  -0.01    -0.00   0.00  -0.00    -0.00  -0.00  -0.01
    14   1     0.17   0.13   0.06     0.00  -0.00   0.00    -0.00   0.01   0.05
    15   1    -0.14  -0.10  -0.07     0.01   0.01  -0.00     0.00   0.01   0.00
    16   1     0.03  -0.06  -0.43     0.00   0.01   0.01     0.01   0.02  -0.01
    17   1    -0.24  -0.10   0.43     0.02   0.01  -0.03     0.03   0.02  -0.07
    18   8    -0.10  -0.05   0.05     0.00  -0.00   0.00    -0.00  -0.00   0.00
    19   8     0.07   0.00  -0.12    -0.00  -0.00   0.00     0.00  -0.00   0.00
    20   1     0.01   0.12   0.10     0.00  -0.01   0.00    -0.02   0.03  -0.01
    21   6     0.03   0.00  -0.01    -0.00  -0.01  -0.03     0.00  -0.03  -0.05
    22   6     0.04  -0.02   0.02     0.01   0.02   0.09    -0.01   0.01   0.01
    23   6     0.15   0.04  -0.04    -0.01  -0.04  -0.18    -0.01   0.01   0.01
    24   8    -0.03  -0.05   0.01    -0.00  -0.00  -0.02     0.00   0.01  -0.01
    25   6    -0.06   0.05  -0.01     0.00  -0.00  -0.00     0.01  -0.01   0.00
    26   1     0.12  -0.01   0.03    -0.00  -0.00  -0.02    -0.03  -0.05  -0.21
    27   1     0.01   0.00   0.05     0.00   0.01   0.04     0.04   0.08   0.38
    28   1     0.30   0.01   0.08     0.05   0.21   0.86    -0.02   0.01  -0.00
    29   1    -0.02   0.04  -0.01     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    30   1    -0.02   0.04  -0.01    -0.00   0.00  -0.00     0.01  -0.01   0.00
    31   1    -0.08   0.09  -0.01     0.00   0.00   0.00     0.01  -0.01   0.01
                     37                     38                     39
                      A                      A                      A
 Frequencies --    936.7644               953.9645               967.4276
 Red. masses --      3.5890                 1.3449                 1.3279
 Frc consts  --      1.8556                 0.7211                 0.7323
 IR Inten    --     13.7091                 1.6100                 1.4722
 RamAct Fr= 1--      7.6527                 1.5337                 1.0451
  Dep-P Fr= 1--      0.3576                 0.6121                 0.7499
  Dep-U Fr= 1--      0.5268                 0.7594                 0.8571
 Alpha2 Fr= 1--      0.0655                 0.0039                 0.0000
 Beta2  Fr= 1--      0.6719                 0.1941                 0.1493
 AlphaG Fr= 1--      0.1490                 0.0111                -0.0023
 Gamma2 Fr= 1--      4.2507                -0.6346                 0.4943
 Delta2 Fr= 1--     -1.9028                 0.5479                -0.2160
 Raman1 Fr= 1--      30.611                  6.135                  4.180
 ROA1   Fr= 1--     347.171                -43.388                 40.537
 CID1   Fr= 1--      11.342                 -7.073                  9.697
 Raman2 Fr= 1--       8.062                  2.329                  1.791
 ROA2   Fr= 1--     117.238                -19.613                 13.590
 CID2   Fr= 1--      14.541                 -8.420                  7.586
 Raman3 Fr= 1--      16.125                  4.659                  3.583
 ROA3   Fr= 1--     347.171                -43.388                 40.537
 CID3   Fr= 1--      21.530                 -9.313                 11.314
 RC180  Fr= 1--       0.054                  0.519                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.06   0.02     0.00   0.01   0.04    -0.00  -0.00  -0.02
     2   6     0.04  -0.07   0.01     0.00  -0.00   0.00    -0.00  -0.00  -0.02
     3   6     0.08  -0.13  -0.00    -0.00  -0.01  -0.06     0.00   0.01   0.03
     4   6     0.11  -0.03   0.01     0.00   0.00   0.02    -0.00   0.00   0.00
     5   6    -0.12   0.19  -0.04    -0.00  -0.00  -0.03    -0.01  -0.03  -0.11
     6   6    -0.04   0.02   0.00     0.00   0.01   0.02     0.01   0.03   0.11
     7   6    -0.03   0.04   0.00    -0.01  -0.03  -0.12     0.00   0.01   0.03
     8   1     0.12  -0.09   0.20     0.02   0.07   0.29    -0.01  -0.03  -0.13
     9   1    -0.21   0.13  -0.02     0.00   0.04   0.18     0.04   0.16   0.66
    10   1     0.16  -0.06  -0.02    -0.00  -0.03  -0.14    -0.04  -0.16  -0.65
    11   6    -0.05  -0.02  -0.07    -0.01  -0.00   0.01    -0.00  -0.00   0.01
    12   6    -0.09   0.00   0.05    -0.00  -0.00  -0.01     0.00  -0.00  -0.01
    13   6     0.01   0.02  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    14   1     0.07  -0.05  -0.27     0.00   0.00   0.01     0.00  -0.00  -0.00
    15   1     0.19   0.02  -0.18     0.01   0.01  -0.01     0.01   0.00  -0.00
    16   1    -0.04  -0.10   0.48     0.00   0.00   0.02     0.00   0.00   0.00
    17   1     0.14  -0.06   0.01     0.02   0.00  -0.03     0.01   0.00  -0.01
    18   8     0.02   0.01  -0.01    -0.00  -0.00   0.00     0.00  -0.00   0.00
    19   8    -0.01   0.00   0.03     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    20   1    -0.01  -0.00  -0.01    -0.00   0.01  -0.00     0.00  -0.01   0.00
    21   6    -0.11   0.19  -0.06     0.00   0.03   0.09    -0.00  -0.00  -0.01
    22   6     0.10  -0.04   0.01     0.00  -0.00  -0.00    -0.00  -0.00  -0.01
    23   6     0.11  -0.12   0.02     0.00  -0.01  -0.01     0.00   0.01   0.02
    24   8    -0.01  -0.07   0.02     0.00  -0.00   0.00    -0.00   0.00   0.00
    25   6    -0.08   0.08  -0.01    -0.00   0.00  -0.00     0.00  -0.00   0.00
    26   1     0.15  -0.05  -0.10     0.05   0.16   0.70    -0.01  -0.04  -0.16
    27   1    -0.17   0.17   0.09    -0.04  -0.12  -0.53     0.01   0.02   0.08
    28   1     0.19  -0.16   0.03     0.01  -0.00   0.02    -0.01  -0.02  -0.10
    29   1    -0.04   0.06  -0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    30   1    -0.04   0.06  -0.02    -0.00   0.01   0.00     0.00  -0.00   0.00
    31   1    -0.10   0.12  -0.02    -0.00   0.00  -0.02     0.00  -0.00   0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --    979.8591              1029.0931              1069.4625
 Red. masses --      3.5405                 2.1354                 3.6636
 Frc consts  --      2.0028                 1.3324                 2.4688
 IR Inten    --      1.7837                 4.7051                54.9361
 RamAct Fr= 1--     24.3316                 5.1320                 3.5082
  Dep-P Fr= 1--      0.1500                 0.3898                 0.1315
  Dep-U Fr= 1--      0.2609                 0.5609                 0.2324
 Alpha2 Fr= 1--      0.3761                 0.0394                 0.0568
 Beta2  Fr= 1--      1.0579                 0.4798                 0.1359
 AlphaG Fr= 1--     -0.2843                 0.1635                 0.0202
 Gamma2 Fr= 1--     -1.2031                -0.1371                 0.0374
 Delta2 Fr= 1--     -0.1190                -1.2253                -0.1425
 Raman1 Fr= 1--      97.326                 20.528                 14.033
 ROA1   Fr= 1--    -119.307                -52.374                 -0.970
 CID1   Fr= 1--      -1.226                 -2.551                 -0.069
 Raman2 Fr= 1--      12.695                  5.758                  1.631
 ROA2   Fr= 1--     -27.923                  6.511                  2.038
 CID2   Fr= 1--      -2.200                  1.131                  1.250
 Raman3 Fr= 1--      25.389                 11.515                  3.261
 ROA3   Fr= 1--    -119.307                -52.374                 -0.970
 CID3   Fr= 1--      -4.699                 -4.548                 -0.297
 RC180  Fr= 1--      -0.478                  0.122                 -0.535
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.03   0.00     0.05   0.00  -0.01     0.01  -0.01   0.00
     2   6     0.00   0.02  -0.01     0.00  -0.02   0.00     0.07   0.04  -0.01
     3   6     0.04   0.17  -0.03     0.05  -0.10   0.03    -0.03  -0.04   0.01
     4   6    -0.08  -0.00   0.00    -0.02  -0.03  -0.01    -0.00   0.01   0.00
     5   6     0.04  -0.17   0.04    -0.03   0.09  -0.01    -0.02   0.04  -0.01
     6   6     0.01   0.13  -0.03     0.01  -0.01   0.00    -0.01  -0.04   0.01
     7   6    -0.00  -0.12   0.03    -0.01   0.02  -0.00     0.04   0.02  -0.01
     8   1     0.05   0.15  -0.10     0.26  -0.21  -0.03    -0.06  -0.03   0.02
     9   1    -0.06  -0.25   0.05    -0.01   0.11  -0.05     0.06   0.10  -0.02
    10   1    -0.28   0.25  -0.04     0.20  -0.08   0.01    -0.03  -0.03   0.01
    11   6    -0.01   0.03   0.06    -0.12   0.09   0.13     0.01  -0.01  -0.01
    12   6     0.05   0.00  -0.04     0.06  -0.04  -0.12     0.00   0.01   0.01
    13   6     0.01  -0.02   0.01     0.04  -0.05   0.06    -0.00   0.00  -0.01
    14   1    -0.07   0.05   0.18    -0.34   0.14   0.52    -0.00  -0.02  -0.03
    15   1    -0.09  -0.01   0.07    -0.10   0.05   0.21    -0.01  -0.01  -0.01
    16   1     0.03   0.06  -0.28     0.03   0.19  -0.29     0.00  -0.01  -0.02
    17   1    -0.08   0.04  -0.02    -0.02   0.14  -0.34    -0.02  -0.01   0.05
    18   8    -0.01  -0.00   0.00    -0.02   0.00   0.00     0.00   0.00  -0.00
    19   8     0.01  -0.00  -0.02     0.01  -0.00  -0.06    -0.00  -0.00   0.00
    20   1     0.01  -0.01  -0.02     0.01  -0.01  -0.06    -0.01   0.01   0.01
    21   6    -0.06   0.22  -0.05    -0.03   0.01  -0.00    -0.02   0.11  -0.02
    22   6     0.07  -0.01  -0.00    -0.00   0.00   0.00    -0.16  -0.06   0.02
    23   6    -0.02  -0.22   0.05     0.00  -0.00   0.00     0.03  -0.08   0.02
    24   8    -0.00  -0.04   0.01     0.00   0.00  -0.00    -0.15   0.21  -0.04
    25   6    -0.05   0.04  -0.01     0.00   0.00  -0.00     0.18  -0.21   0.04
    26   1     0.33  -0.26   0.02    -0.06   0.04  -0.01     0.24  -0.06  -0.00
    27   1     0.08   0.33  -0.07    -0.06  -0.01   0.01     0.13   0.23  -0.06
    28   1     0.06  -0.25   0.05    -0.01   0.00  -0.00     0.63  -0.34   0.04
    29   1    -0.00   0.03  -0.01    -0.00   0.00   0.00     0.09  -0.15   0.02
    30   1    -0.00   0.03  -0.01    -0.00   0.00  -0.00     0.09  -0.14   0.04
    31   1    -0.07   0.08  -0.02     0.01  -0.01   0.00     0.15  -0.16   0.03
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1090.5916              1098.9766              1166.7862
 Red. masses --      2.1334                 1.9742                 1.5265
 Frc consts  --      1.4950                 1.4048                 1.2244
 IR Inten    --      2.8333                20.1617                18.3443
 RamAct Fr= 1--      1.9916                17.2936                 5.2450
  Dep-P Fr= 1--      0.6777                 0.2018                 0.6145
  Dep-U Fr= 1--      0.8079                 0.3359                 0.7613
 Alpha2 Fr= 1--      0.0025                 0.2337                 0.0130
 Beta2  Fr= 1--      0.2682                 0.9681                 0.6655
 AlphaG Fr= 1--     -0.0050                -0.3654                -0.0039
 Gamma2 Fr= 1--     -0.2679                -3.0050                -0.4539
 Delta2 Fr= 1--      0.2195                 2.5394                -1.2402
 Raman1 Fr= 1--       7.966                 69.174                 20.980
 ROA1   Fr= 1--     -18.688               -207.220                -83.264
 CID1   Fr= 1--      -2.346                 -2.996                 -3.969
 Raman2 Fr= 1--       3.218                 11.617                  7.986
 ROA2   Fr= 1--      -8.185                -92.435                 -0.972
 CID2   Fr= 1--      -2.543                 -7.957                 -0.122
 Raman3 Fr= 1--       6.436                 23.235                 15.971
 ROA3   Fr= 1--     -18.688               -207.220                -83.264
 CID3   Fr= 1--      -2.904                 -8.919                 -5.213
 RC180  Fr= 1--       0.616                 -0.328                  0.523
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.02   0.00    -0.02  -0.01   0.01     0.02   0.07  -0.02
     2   6    -0.01   0.02  -0.00     0.00  -0.00  -0.00     0.01   0.05  -0.01
     3   6     0.01   0.00  -0.00    -0.02   0.05   0.00    -0.05  -0.04   0.02
     4   6     0.10   0.06  -0.01     0.05  -0.00  -0.06    -0.06  -0.03   0.00
     5   6     0.02  -0.06   0.01     0.01  -0.02   0.02     0.02   0.05  -0.01
     6   6    -0.05  -0.03   0.01    -0.01  -0.00   0.00    -0.03  -0.04   0.01
     7   6     0.01   0.01  -0.00     0.00   0.01  -0.00    -0.05  -0.06   0.02
     8   1    -0.17   0.08  -0.01    -0.22   0.11  -0.08     0.11  -0.11   0.02
     9   1    -0.04  -0.11   0.05    -0.02  -0.06  -0.03     0.39   0.33  -0.11
    10   1    -0.22   0.03   0.00    -0.10   0.03  -0.01    -0.16   0.01   0.01
    11   6     0.04   0.14  -0.15     0.05  -0.00   0.16     0.05   0.01  -0.00
    12   6    -0.05  -0.13   0.06    -0.11  -0.01  -0.12    -0.02  -0.01   0.00
    13   6     0.05  -0.08  -0.01    -0.02   0.02   0.09     0.01  -0.02  -0.02
    14   1    -0.03   0.23   0.17     0.31   0.10   0.11     0.23   0.11   0.01
    15   1    -0.04   0.11   0.55     0.32   0.13  -0.27     0.05   0.03   0.02
    16   1    -0.06   0.24   0.26    -0.05  -0.03   0.52    -0.01   0.01   0.09
    17   1     0.08   0.17  -0.44     0.32  -0.02  -0.35     0.05   0.00  -0.06
    18   8    -0.02  -0.00  -0.00    -0.03  -0.03   0.00    -0.00   0.00  -0.00
    19   8    -0.02   0.02   0.03     0.04  -0.01  -0.07    -0.01   0.00   0.01
    20   1    -0.04   0.05   0.15     0.05  -0.04  -0.13    -0.02   0.03   0.08
    21   6    -0.01   0.00   0.00     0.01  -0.01   0.00     0.05   0.03  -0.01
    22   6    -0.00  -0.01   0.00    -0.00  -0.01   0.00    -0.02  -0.00   0.00
    23   6     0.01   0.00  -0.00     0.01   0.01  -0.00    -0.04  -0.05   0.01
    24   8     0.00  -0.00  -0.00    -0.01   0.01  -0.00     0.04  -0.02   0.00
    25   6     0.00   0.00  -0.00     0.01  -0.01   0.00    -0.03   0.02  -0.01
    26   1     0.04   0.00  -0.00     0.03   0.00  -0.00    -0.36   0.06   0.01
    27   1    -0.05  -0.03   0.01    -0.01  -0.02   0.01     0.50   0.36  -0.12
    28   1     0.07  -0.03   0.00     0.03   0.00  -0.00     0.01  -0.07   0.02
    29   1    -0.01   0.00   0.00     0.00  -0.01   0.00     0.02   0.00  -0.00
    30   1    -0.01   0.00  -0.00     0.00  -0.00   0.00     0.01   0.02  -0.00
    31   1     0.00  -0.01   0.00     0.01  -0.00   0.00    -0.01  -0.01   0.01
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1172.5185              1175.7493              1181.4183
 Red. masses --      1.2705                 2.0340                 1.7999
 Frc consts  --      1.0291                 1.6566                 1.4802
 IR Inten    --      0.8252                77.6461                 6.0445
 RamAct Fr= 1--      0.8870                41.8353                12.5325
  Dep-P Fr= 1--      0.7498                 0.3637                 0.7490
  Dep-U Fr= 1--      0.8570                 0.5334                 0.8565
 Alpha2 Fr= 1--      0.0000                 0.3511                 0.0002
 Beta2  Fr= 1--      0.1267                 3.7194                 1.7890
 AlphaG Fr= 1--     -0.0018                 0.0487                -0.0004
 Gamma2 Fr= 1--     -0.0489                 5.2699                 1.3898
 Delta2 Fr= 1--     -0.0307                 5.9701                -1.5580
 Raman1 Fr= 1--       3.548                167.341                 50.130
 ROA1   Fr= 1--      -5.681                696.952                 83.565
 CID1   Fr= 1--      -1.601                  4.165                  1.667
 Raman2 Fr= 1--       1.520                 44.633                 21.468
 ROA2   Fr= 1--      -0.928                 78.716                 45.820
 CID2   Fr= 1--      -0.611                  1.764                  2.134
 Raman3 Fr= 1--       3.041                 89.266                 42.936
 ROA3   Fr= 1--      -5.681                696.952                 83.565
 CID3   Fr= 1--      -1.868                  7.808                  1.946
 RC180  Fr= 1--       0.714                  0.067                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.02  -0.02   0.00    -0.02   0.04  -0.01
     2   6    -0.00  -0.00  -0.00    -0.03   0.06  -0.01     0.02  -0.04   0.01
     3   6     0.00   0.00   0.00     0.02  -0.05   0.00    -0.02   0.03  -0.01
     4   6     0.00   0.00  -0.00     0.09   0.06   0.00    -0.03  -0.03   0.03
     5   6    -0.00  -0.00   0.00     0.06  -0.02  -0.00    -0.05   0.00  -0.00
     6   6     0.00   0.00   0.00    -0.05  -0.06   0.02     0.05   0.03  -0.01
     7   6     0.00   0.00  -0.00     0.01   0.01  -0.00    -0.03  -0.03   0.01
     8   1    -0.00   0.00  -0.00    -0.16   0.03   0.03     0.09  -0.00   0.02
     9   1    -0.01  -0.00   0.00     0.33   0.19  -0.05    -0.35  -0.21   0.08
    10   1     0.00  -0.00  -0.00    -0.38   0.07   0.01     0.39  -0.10   0.00
    11   6    -0.00  -0.00  -0.00    -0.05  -0.03  -0.05     0.02   0.02  -0.09
    12   6     0.00   0.00   0.00     0.03  -0.01   0.01     0.01  -0.05   0.04
    13   6    -0.00   0.00   0.00    -0.05   0.10   0.15    -0.03   0.06   0.14
    14   1    -0.00  -0.00  -0.00    -0.34  -0.23  -0.18     0.10   0.02  -0.18
    15   1    -0.00  -0.00   0.00    -0.09  -0.04   0.06    -0.06   0.00   0.20
    16   1     0.00   0.00  -0.00     0.01   0.01  -0.12    -0.01   0.07  -0.03
    17   1    -0.00   0.00   0.00    -0.08   0.01   0.04    -0.03   0.05  -0.08
    18   8    -0.00  -0.00   0.00    -0.03  -0.03   0.00    -0.04  -0.03   0.00
    19   8     0.00   0.00  -0.00     0.06   0.01  -0.06     0.05   0.01  -0.05
    20   1     0.00  -0.00  -0.00     0.12  -0.16  -0.46     0.11  -0.14  -0.42
    21   6    -0.00  -0.00   0.00    -0.02   0.02  -0.00     0.04  -0.01   0.00
    22   6     0.00   0.00   0.00    -0.04  -0.02   0.01     0.02   0.03  -0.01
    23   6     0.00  -0.00  -0.00    -0.03   0.00   0.00     0.03  -0.02   0.00
    24   8     0.00   0.01   0.06     0.04  -0.04   0.01    -0.01   0.03  -0.01
    25   6    -0.01  -0.03  -0.13     0.00   0.06  -0.01    -0.03  -0.05   0.01
    26   1     0.00  -0.00  -0.00     0.05  -0.00  -0.00    -0.26   0.06   0.00
    27   1    -0.00   0.00   0.01    -0.03   0.02  -0.00     0.27   0.15  -0.06
    28   1     0.00   0.00   0.01     0.15  -0.08   0.01    -0.05   0.01   0.00
    29   1     0.39  -0.48   0.27    -0.11   0.04   0.03     0.15  -0.04  -0.03
    30   1    -0.36   0.56   0.07    -0.11   0.03  -0.03     0.15  -0.03   0.03
    31   1     0.02   0.07   0.27     0.11  -0.16   0.03    -0.14   0.19  -0.04
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1189.3328              1200.5127              1205.1791
 Red. masses --      1.6680                 1.3746                 1.6281
 Frc consts  --      1.3901                 1.1673                 1.3932
 IR Inten    --     61.4327                23.5445                 0.5224
 RamAct Fr= 1--      8.0353                85.2485                 1.4630
  Dep-P Fr= 1--      0.4532                 0.2076                 0.7435
  Dep-U Fr= 1--      0.6238                 0.3439                 0.8529
 Alpha2 Fr= 1--      0.0486                 1.1344                 0.0002
 Beta2  Fr= 1--      0.8353                 4.8857                 0.2080
 AlphaG Fr= 1--     -0.0195                -0.1302                -0.0003
 Gamma2 Fr= 1--      0.3554                -7.3977                 1.5175
 Delta2 Fr= 1--      0.0060                -0.5387                -0.5143
 Raman1 Fr= 1--      32.141                340.994                  5.852
 ROA1   Fr= 1--      34.313               -727.414                129.222
 CID1   Fr= 1--       1.068                 -2.133                 22.082
 Raman2 Fr= 1--      10.024                 58.629                  2.496
 ROA2   Fr= 1--       8.483               -173.234                 40.534
 CID2   Fr= 1--       0.846                 -2.955                 16.242
 Raman3 Fr= 1--      20.048                117.258                  4.991
 ROA3   Fr= 1--      34.313               -727.414                129.222
 CID3   Fr= 1--       1.712                 -6.204                 25.890
 RC180  Fr= 1--       0.248                 -0.312                  0.706
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07   0.04  -0.01    -0.02   0.01  -0.00    -0.06   0.03  -0.00
     2   6    -0.12   0.05  -0.01     0.01   0.01  -0.00    -0.08   0.06  -0.01
     3   6     0.02   0.02  -0.01    -0.00   0.01  -0.00     0.03  -0.03   0.01
     4   6    -0.03   0.01  -0.01    -0.11  -0.04   0.02     0.03   0.05  -0.02
     5   6    -0.02  -0.03   0.01     0.00   0.04  -0.01     0.01  -0.02   0.00
     6   6     0.05  -0.04   0.01     0.01   0.02  -0.01    -0.00  -0.05   0.01
     7   6     0.04  -0.02   0.00     0.03  -0.02   0.00     0.01  -0.04   0.01
     8   1     0.20  -0.05   0.00     0.36  -0.13   0.03     0.14  -0.07   0.01
     9   1    -0.10  -0.09   0.03     0.30   0.27  -0.08     0.18   0.10  -0.04
    10   1     0.52  -0.23   0.02    -0.08   0.06  -0.01    -0.07  -0.03   0.01
    11   6     0.03   0.00   0.00     0.05   0.01  -0.05     0.00  -0.01   0.02
    12   6    -0.01  -0.00  -0.00    -0.01  -0.03   0.02    -0.01   0.01  -0.01
    13   6     0.00  -0.01  -0.01     0.00   0.01   0.05    -0.01   0.01  -0.02
    14   1     0.08   0.03  -0.00     0.35   0.14  -0.10    -0.15  -0.09   0.02
    15   1     0.03   0.01  -0.01     0.01   0.02   0.11     0.02   0.00  -0.06
    16   1    -0.01  -0.00   0.05    -0.01   0.04   0.02    -0.00  -0.02   0.03
    17   1     0.03  -0.00  -0.03     0.02   0.03  -0.08     0.02  -0.02   0.02
    18   8    -0.00  -0.00   0.00    -0.02  -0.01  -0.00     0.01   0.00   0.00
    19   8    -0.00   0.00   0.00     0.02   0.01  -0.01    -0.00  -0.00   0.00
    20   1     0.00  -0.00   0.02     0.03  -0.04  -0.13    -0.01   0.01   0.06
    21   6    -0.02  -0.01   0.00    -0.03  -0.01   0.01    -0.02  -0.03   0.01
    22   6    -0.09   0.01   0.00     0.02  -0.00  -0.00     0.04   0.06  -0.02
    23   6     0.01   0.02  -0.00    -0.01   0.02  -0.00     0.02  -0.02   0.00
    24   8     0.07  -0.05   0.01    -0.03   0.00   0.00     0.04   0.04  -0.01
    25   6    -0.00   0.08  -0.02     0.02  -0.01  -0.00    -0.10  -0.08   0.02
    26   1     0.24  -0.10   0.01     0.46  -0.19   0.02     0.13  -0.09   0.01
    27   1     0.09   0.07  -0.02    -0.32  -0.22   0.08    -0.12  -0.12   0.04
    28   1     0.54  -0.21   0.02    -0.16   0.08  -0.01     0.22  -0.11   0.01
    29   1    -0.13   0.05   0.03    -0.04   0.00   0.01     0.37  -0.08  -0.08
    30   1    -0.13   0.03  -0.04    -0.04   0.00  -0.00     0.38  -0.04   0.06
    31   1     0.15  -0.24   0.05     0.02  -0.02   0.00    -0.37   0.52  -0.10
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1255.1872              1297.6577              1298.0756
 Red. masses --      1.6515                 1.4057                 1.7895
 Frc consts  --      1.5331                 1.3946                 1.7766
 IR Inten    --     79.4132               158.5150                15.9219
 RamAct Fr= 1--     50.3169                16.9497                 3.3509
  Dep-P Fr= 1--      0.2604                 0.6736                 0.1809
  Dep-U Fr= 1--      0.4132                 0.8050                 0.3064
 Alpha2 Fr= 1--      0.5791                 0.0229                 0.0478
 Beta2  Fr= 1--      3.4656                 2.2741                 0.1711
 AlphaG Fr= 1--      0.1938                -0.0091                 0.0043
 Gamma2 Fr= 1--      3.9839                -3.4295                 4.1380
 Delta2 Fr= 1--      0.6018                -2.4234                -0.2376
 Raman1 Fr= 1--     201.268                 67.799                 13.403
 ROA1   Fr= 1--     401.714               -406.784                389.643
 CID1   Fr= 1--       1.996                 -6.000                 29.070
 Raman2 Fr= 1--      41.587                 27.289                  2.054
 ROA2   Fr= 1--      90.800                -62.921                101.212
 CID2   Fr= 1--       2.183                 -2.306                 49.283
 Raman3 Fr= 1--      83.174                 54.578                  4.107
 ROA3   Fr= 1--     401.714               -406.784                389.643
 CID3   Fr= 1--       4.830                 -7.453                 94.864
 RC180  Fr= 1--      -0.174                  0.610                 -0.387
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.11   0.09  -0.01     0.03  -0.03   0.01    -0.10  -0.11   0.03
     2   6     0.03   0.02  -0.01    -0.02  -0.01   0.00    -0.07  -0.14   0.04
     3   6     0.00  -0.04   0.01     0.00   0.01  -0.00     0.05   0.05  -0.02
     4   6     0.04   0.09  -0.02    -0.04  -0.01   0.00    -0.01   0.02  -0.00
     5   6    -0.02  -0.01   0.00     0.00  -0.01   0.00     0.03   0.00  -0.00
     6   6     0.02  -0.04   0.01    -0.00   0.02  -0.00    -0.01   0.06  -0.01
     7   6    -0.01  -0.05   0.01     0.00   0.00  -0.00    -0.02   0.04  -0.01
     8   1     0.44  -0.21   0.03    -0.01   0.01   0.00     0.54  -0.14   0.01
     9   1    -0.18  -0.13   0.04     0.05   0.03  -0.02     0.06   0.03  -0.01
    10   1    -0.16   0.03   0.00     0.05  -0.01   0.00    -0.39   0.21  -0.03
    11   6     0.06   0.01   0.01     0.01   0.04   0.05    -0.00  -0.01  -0.01
    12   6    -0.03   0.01  -0.01     0.02  -0.05   0.00    -0.00   0.01   0.00
    13   6    -0.02   0.03  -0.00    -0.03   0.06   0.08     0.00  -0.01  -0.00
    14   1    -0.42  -0.24  -0.01    -0.03  -0.24  -0.57     0.03   0.04   0.08
    15   1     0.06   0.03  -0.05    -0.01   0.01   0.14     0.00  -0.01  -0.03
    16   1    -0.02  -0.01   0.09     0.00   0.11  -0.05    -0.00  -0.01  -0.00
    17   1     0.06  -0.02  -0.01    -0.01   0.05  -0.14     0.00   0.00   0.01
    18   8     0.01  -0.01  -0.00     0.04   0.01  -0.03    -0.00  -0.00   0.00
    19   8    -0.00  -0.01  -0.01    -0.01  -0.05  -0.07     0.00   0.01   0.01
    20   1    -0.02   0.04   0.14    -0.13   0.25   0.63     0.02  -0.03  -0.08
    21   6     0.02  -0.02   0.00     0.00   0.01  -0.00     0.05  -0.01  -0.00
    22   6     0.04   0.01  -0.01     0.02   0.01  -0.00     0.02   0.04  -0.01
    23   6     0.03  -0.03   0.01    -0.00   0.01  -0.00     0.05   0.04  -0.01
    24   8    -0.07  -0.00   0.01    -0.01  -0.00   0.00    -0.03  -0.00   0.00
    25   6     0.05   0.00  -0.00     0.01  -0.00  -0.00     0.02  -0.00  -0.00
    26   1     0.18  -0.14   0.02    -0.14   0.06  -0.00    -0.38   0.19  -0.02
    27   1     0.22   0.12  -0.04    -0.07  -0.05   0.02     0.07   0.01  -0.01
    28   1    -0.37   0.14  -0.01     0.12  -0.05   0.00     0.43  -0.12  -0.00
    29   1    -0.14   0.03   0.02    -0.02   0.01   0.00    -0.05   0.01   0.01
    30   1    -0.14   0.02  -0.02    -0.02   0.01  -0.00    -0.05   0.00  -0.00
    31   1     0.12  -0.15   0.03     0.00   0.01  -0.00     0.03  -0.04   0.01
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1306.9432              1325.6110              1336.5931
 Red. masses --      2.7635                 2.2360                 1.7766
 Frc consts  --      2.7811                 2.3150                 1.8700
 IR Inten    --    267.8263                 8.6375               143.1484
 RamAct Fr= 1--     16.1469                19.8320                 6.0295
  Dep-P Fr= 1--      0.1640                 0.2511                 0.7475
  Dep-U Fr= 1--      0.2818                 0.4014                 0.8555
 Alpha2 Fr= 1--      0.2409                 0.2343                 0.0003
 Beta2  Fr= 1--      0.7584                 1.3268                 0.8597
 AlphaG Fr= 1--     -0.1025                 0.2052                -0.0178
 Gamma2 Fr= 1--     -1.2865                 0.1484                 4.8560
 Delta2 Fr= 1--     -0.5601                 0.7080                 2.0240
 Raman1 Fr= 1--      64.587                 79.328                 24.118
 ROA1   Fr= 1--    -141.428                 36.902                530.947
 CID1   Fr= 1--      -2.190                  0.465                 22.015
 Raman2 Fr= 1--       9.100                 15.921                 10.317
 ROA2   Fr= 1--     -26.395                 -2.102                100.352
 CID2   Fr= 1--      -2.900                 -0.132                  9.727
 Raman3 Fr= 1--      18.201                 31.843                 20.633
 ROA3   Fr= 1--    -141.428                 36.902                530.947
 CID3   Fr= 1--      -7.770                  1.159                 25.733
 RC180  Fr= 1--      -0.436                 -0.197                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.03  -0.01     0.14  -0.05   0.00     0.00  -0.00  -0.00
     2   6    -0.11   0.10  -0.02     0.02  -0.01   0.00     0.00  -0.00   0.00
     3   6     0.02  -0.02   0.00    -0.05  -0.03   0.01    -0.01   0.01  -0.01
     4   6     0.01   0.01  -0.00    -0.15   0.02   0.01    -0.00  -0.01   0.02
     5   6    -0.01  -0.04   0.01    -0.00  -0.02   0.00     0.00  -0.00  -0.00
     6   6    -0.01  -0.03   0.01     0.01   0.03  -0.01    -0.00   0.00  -0.00
     7   6    -0.00  -0.09   0.02     0.03   0.00  -0.00    -0.00   0.00  -0.00
     8   1    -0.29   0.10  -0.01     0.07  -0.09   0.03    -0.02   0.02   0.02
     9   1     0.26   0.16  -0.05    -0.01  -0.02   0.01     0.02   0.02   0.02
    10   1     0.34  -0.17   0.02     0.12  -0.01  -0.00     0.04  -0.01   0.00
    11   6    -0.02  -0.01  -0.01     0.21   0.05  -0.03     0.01  -0.08  -0.14
    12   6     0.00   0.01  -0.00    -0.07   0.01   0.00    -0.03   0.06   0.03
    13   6     0.01  -0.01  -0.01    -0.02   0.01  -0.04     0.01   0.04   0.15
    14   1     0.08   0.08   0.10    -0.62  -0.28   0.18    -0.07   0.23   0.71
    15   1    -0.02  -0.01  -0.02     0.19   0.09  -0.09     0.01  -0.03  -0.20
    16   1     0.00  -0.03  -0.00    -0.05   0.00   0.12    -0.02  -0.16   0.00
    17   1    -0.01  -0.01   0.04     0.17  -0.07  -0.02     0.06  -0.04   0.11
    18   8    -0.01  -0.00   0.00    -0.02  -0.02   0.01     0.02   0.01  -0.03
    19   8     0.00   0.01   0.01     0.01   0.01   0.02    -0.01  -0.04  -0.08
    20   1     0.03  -0.05  -0.11     0.04  -0.06  -0.16    -0.09   0.18   0.49
    21   6     0.04   0.02  -0.01    -0.02   0.04  -0.01     0.00   0.00  -0.00
    22   6     0.23   0.11  -0.04    -0.02   0.01  -0.00    -0.00  -0.00   0.00
    23   6     0.03  -0.04   0.01    -0.05  -0.00   0.00    -0.01   0.00  -0.00
    24   8    -0.17  -0.02   0.02     0.02  -0.01   0.00     0.00  -0.00  -0.00
    25   6     0.10  -0.02  -0.00    -0.01   0.01  -0.00    -0.00   0.00   0.00
    26   1    -0.43   0.07   0.01    -0.27   0.14  -0.02     0.02  -0.01   0.00
    27   1    -0.23  -0.18   0.06    -0.28  -0.15   0.05    -0.00  -0.00   0.00
    28   1     0.13  -0.07   0.01     0.12  -0.08   0.01     0.02  -0.01   0.00
    29   1    -0.28   0.06   0.03     0.01  -0.00   0.00     0.00   0.00  -0.00
    30   1    -0.29   0.05  -0.01     0.01  -0.00  -0.00     0.01   0.00   0.00
    31   1     0.09  -0.04   0.00    -0.02   0.03  -0.01    -0.00   0.01  -0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1386.4146              1403.8475              1410.3404
 Red. masses --      2.4101                 2.8030                 3.8580
 Frc consts  --      2.7294                 3.2548                 4.5213
 IR Inten    --     15.8258                 8.0542                 2.0159
 RamAct Fr= 1--     43.5331                41.5673               508.8758
  Dep-P Fr= 1--      0.1842                 0.1723                 0.2010
  Dep-U Fr= 1--      0.3111                 0.2939                 0.3347
 Alpha2 Fr= 1--      0.6163                 0.6070                 6.8930
 Beta2  Fr= 1--      2.2572                 2.0362                28.3842
 AlphaG Fr= 1--     -0.0863                 0.0052                 0.0269
 Gamma2 Fr= 1--     -0.7877                -0.3962                 2.7565
 Delta2 Fr= 1--     -0.6763                 1.2983                 1.9395
 Raman1 Fr= 1--     174.132                166.269               2035.503
 ROA1   Fr= 1--     -97.265                  3.509                326.690
 CID1   Fr= 1--      -0.559                  0.021                  0.160
 Raman2 Fr= 1--      27.086                 24.435                340.611
 ROA2   Fr= 1--     -13.495                -19.896                 50.641
 CID2   Fr= 1--      -0.498                 -0.814                  0.149
 Raman3 Fr= 1--      54.172                 48.869                681.222
 ROA3   Fr= 1--     -97.265                  3.509                326.690
 CID3   Fr= 1--      -1.795                  0.072                  0.480
 RC180  Fr= 1--      -0.378                 -0.412                 -0.331
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06   0.10  -0.03    -0.07  -0.08   0.02    -0.05  -0.23   0.06
     2   6     0.05  -0.04   0.01    -0.05   0.02  -0.00     0.11   0.25  -0.07
     3   6    -0.06  -0.07   0.02     0.16  -0.06   0.00     0.05  -0.04   0.01
     4   6    -0.02   0.10  -0.02    -0.08   0.07  -0.01    -0.04   0.17  -0.04
     5   6    -0.02   0.04  -0.01    -0.15  -0.09   0.03    -0.06  -0.03   0.01
     6   6     0.10  -0.04   0.00     0.11   0.05  -0.02     0.10  -0.09   0.02
     7   6     0.12  -0.06   0.01     0.11   0.06  -0.02    -0.07   0.03  -0.00
     8   1    -0.02  -0.09   0.02    -0.36   0.14  -0.01     0.36  -0.17   0.03
     9   1    -0.36  -0.21   0.07     0.34   0.29  -0.09    -0.23  -0.15   0.05
    10   1    -0.47   0.19  -0.02     0.02   0.10  -0.03     0.03  -0.06   0.01
    11   6    -0.04  -0.04   0.00     0.03   0.01  -0.01    -0.03  -0.04   0.01
    12   6     0.01   0.00   0.00    -0.01   0.00   0.02    -0.01  -0.00   0.06
    13   6     0.01  -0.00   0.02    -0.00   0.00   0.00     0.01  -0.00   0.01
    14   1     0.38   0.16  -0.04     0.02   0.00   0.00     0.38   0.15  -0.07
    15   1    -0.05  -0.03   0.01     0.04   0.00  -0.04     0.06  -0.09  -0.19
    16   1     0.01  -0.03  -0.02    -0.01  -0.02  -0.07    -0.03  -0.03  -0.27
    17   1    -0.02   0.01  -0.00     0.08   0.01  -0.05     0.11   0.12  -0.21
    18   8     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    19   8    -0.00  -0.00  -0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    20   1    -0.01   0.01   0.03     0.01  -0.00   0.02    -0.00   0.00   0.00
    21   6    -0.06  -0.02   0.01    -0.12  -0.05   0.02     0.10   0.08  -0.03
    22   6    -0.08   0.18  -0.04    -0.06   0.02  -0.00     0.02  -0.10   0.02
    23   6    -0.02  -0.10   0.02     0.15  -0.06   0.00    -0.14   0.02   0.00
    24   8     0.02  -0.03   0.01     0.00   0.02  -0.00     0.02  -0.00  -0.00
    25   6     0.01   0.03  -0.01    -0.02   0.01  -0.00    -0.01  -0.01   0.00
    26   1    -0.26   0.10  -0.01    -0.17   0.19  -0.03    -0.26   0.10  -0.01
    27   1    -0.30  -0.19   0.07     0.25   0.23  -0.07    -0.16  -0.11   0.04
    28   1     0.09  -0.16   0.03    -0.42   0.18  -0.02    -0.10   0.01   0.01
    29   1    -0.01  -0.02   0.04     0.10  -0.02   0.00    -0.02   0.01  -0.01
    30   1    -0.01  -0.03  -0.03     0.10  -0.03  -0.01    -0.02   0.01   0.01
    31   1     0.06  -0.08   0.02     0.07  -0.15   0.03    -0.05   0.09  -0.02
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1415.3104              1456.4067              1480.1876
 Red. masses --      1.2770                 3.5667                 1.2097
 Frc consts  --      1.5071                 4.4574                 1.5616
 IR Inten    --     11.2387                 1.5386                 8.5230
 RamAct Fr= 1--     27.8692               190.1771                 8.2191
  Dep-P Fr= 1--      0.1641                 0.2571                 0.4585
  Dep-U Fr= 1--      0.2819                 0.4091                 0.6287
 Alpha2 Fr= 1--      0.4156                 2.2092                 0.0487
 Beta2  Fr= 1--      1.3096                12.9664                 0.8613
 AlphaG Fr= 1--     -0.0972                -0.5309                -0.0063
 Gamma2 Fr= 1--     -0.9905                -1.8728                -0.6463
 Delta2 Fr= 1--      0.4713                 0.8641                 0.0121
 Raman1 Fr= 1--     111.477                760.708                 32.876
 ROA1   Fr= 1--     -80.006               -152.133                -61.660
 CID1   Fr= 1--      -0.718                 -0.200                 -1.876
 Raman2 Fr= 1--      15.715                155.597                 10.335
 ROA2   Fr= 1--     -27.543                -51.860                -15.608
 CID2   Fr= 1--      -1.753                 -0.333                 -1.510
 Raman3 Fr= 1--      31.430                311.195                 20.670
 ROA3   Fr= 1--     -80.006               -152.133                -61.660
 CID3   Fr= 1--      -2.546                 -0.489                 -2.983
 RC180  Fr= 1--      -0.436                 -0.182                  0.257
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.04   0.01    -0.16   0.01   0.01     0.02  -0.00  -0.00
     2   6     0.02   0.03  -0.01     0.18  -0.00  -0.01    -0.01  -0.01   0.00
     3   6     0.01  -0.01   0.00     0.13   0.03  -0.02     0.01  -0.02   0.00
     4   6    -0.02   0.02  -0.00     0.02  -0.17   0.04    -0.03   0.01  -0.00
     5   6    -0.02  -0.01   0.00    -0.14   0.05  -0.00    -0.00   0.01  -0.00
     6   6     0.02  -0.00  -0.00     0.13  -0.00  -0.01     0.03  -0.01  -0.00
     7   6    -0.00   0.01  -0.00    -0.11   0.00   0.01     0.01   0.03  -0.01
     8   1     0.06  -0.03  -0.00    -0.41   0.26  -0.04    -0.06   0.01   0.00
     9   1     0.01   0.01  -0.01     0.08   0.23  -0.06    -0.06  -0.03   0.01
    10   1     0.02  -0.00  -0.00    -0.20   0.15  -0.02    -0.08   0.04  -0.00
    11   6     0.01  -0.01  -0.01     0.03   0.05  -0.01     0.00  -0.00  -0.00
    12   6     0.04   0.01  -0.13    -0.01  -0.00   0.00    -0.00   0.00  -0.00
    13   6    -0.01   0.00   0.02    -0.00  -0.00  -0.01     0.00   0.00   0.00
    14   1     0.03   0.02   0.03    -0.33  -0.12   0.04     0.03   0.01  -0.01
    15   1    -0.24   0.13   0.44     0.08   0.04   0.00     0.02   0.03   0.04
    16   1     0.08   0.00   0.59    -0.02   0.05  -0.04    -0.00  -0.01  -0.02
    17   1    -0.29  -0.23   0.45     0.04  -0.02   0.00     0.04  -0.03   0.02
    18   8     0.01   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    19   8     0.00  -0.00  -0.01    -0.00   0.00   0.00     0.00  -0.00  -0.00
    20   1    -0.01   0.01   0.03     0.01  -0.01  -0.01     0.00   0.00  -0.00
    21   6     0.01   0.01  -0.00     0.13  -0.05   0.00    -0.05  -0.03   0.01
    22   6    -0.00  -0.01   0.00    -0.04   0.16  -0.04    -0.01  -0.01   0.00
    23   6    -0.02  -0.00   0.00    -0.14  -0.03   0.02    -0.01   0.01  -0.00
    24   8     0.01  -0.00  -0.00     0.02  -0.04   0.01     0.03  -0.01   0.00
    25   6    -0.00   0.00  -0.00     0.01   0.02  -0.00     0.07  -0.07   0.01
    26   1    -0.06   0.03  -0.00     0.18  -0.13   0.02     0.10  -0.00  -0.01
    27   1    -0.03  -0.02   0.01    -0.06  -0.20   0.05     0.16   0.12  -0.04
    28   1    -0.03   0.00   0.00     0.31  -0.24   0.04     0.04  -0.01   0.00
    29   1     0.01  -0.00   0.00    -0.06  -0.02   0.05    -0.43   0.25  -0.21
    30   1     0.01  -0.00  -0.00    -0.07  -0.04  -0.03    -0.41   0.33   0.12
    31   1    -0.00   0.00  -0.00     0.01   0.03  -0.01    -0.21   0.51  -0.11
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1492.1896              1496.3523              1496.4379
 Red. masses --      1.0470                 1.0466                 1.0582
 Frc consts  --      1.3736                 1.3807                 1.3962
 IR Inten    --      8.9871                 8.8947                 5.7811
 RamAct Fr= 1--      7.0892                11.5094                 4.4879
  Dep-P Fr= 1--      0.6874                 0.7498                 0.7173
  Dep-U Fr= 1--      0.8148                 0.8570                 0.8354
 Alpha2 Fr= 1--      0.0078                 0.0000                 0.0025
 Beta2  Fr= 1--      0.9627                 1.6440                 0.6248
 AlphaG Fr= 1--     -0.0154                -0.0031                 0.0525
 Gamma2 Fr= 1--      0.4514                -0.9213                 1.7240
 Delta2 Fr= 1--     -0.8838                 0.3748                 1.5885
 Raman1 Fr= 1--      28.357                 46.038                 17.951
 ROA1   Fr= 1--      15.050                -76.453                216.337
 CID1   Fr= 1--       0.531                 -1.661                 12.051
 Raman2 Fr= 1--      11.552                 19.728                  7.498
 ROA2   Fr= 1--      17.903                -25.110                 28.668
 CID2   Fr= 1--       1.550                 -1.273                  3.823
 Raman3 Fr= 1--      23.104                 39.456                 14.996
 ROA3   Fr= 1--      15.050                -76.453                216.337
 CID3   Fr= 1--       0.651                 -1.938                 14.426
 RC180  Fr= 1--       0.630                  0.714                  0.671
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     2   6    -0.01   0.00   0.00    -0.00   0.00   0.00    -0.01   0.01  -0.00
     3   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     4   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     5   6     0.01   0.01  -0.00     0.00   0.00  -0.00     0.01   0.01  -0.00
     6   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.01  -0.01   0.00
     7   6    -0.01  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     8   1    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.02   0.01   0.01
     9   1    -0.02  -0.02   0.01    -0.00  -0.00   0.00    -0.04  -0.03   0.01
    10   1    -0.02   0.00   0.00    -0.00   0.00   0.00    -0.03   0.00   0.00
    11   6    -0.02   0.01   0.00    -0.00  -0.00  -0.00    -0.02  -0.02  -0.01
    12   6    -0.04   0.03  -0.02    -0.00  -0.00  -0.00    -0.03  -0.04  -0.01
    13   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.01
    14   1     0.03   0.01  -0.06     0.00   0.00   0.00     0.04   0.03   0.04
    15   1     0.01   0.24   0.43     0.05   0.02   0.00     0.59   0.29   0.04
    16   1    -0.02  -0.41  -0.30    -0.01   0.05  -0.02    -0.08   0.57  -0.22
    17   1     0.60  -0.32   0.12    -0.01  -0.02   0.03    -0.08  -0.22   0.33
    18   8    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.01   0.00  -0.00
    19   8     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    20   1    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    21   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    22   6     0.01  -0.00   0.00     0.00  -0.00  -0.00     0.01  -0.00   0.00
    23   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    24   8    -0.00   0.00  -0.00    -0.00  -0.00  -0.01    -0.00   0.00   0.00
    25   6    -0.01   0.00  -0.00    -0.00  -0.01  -0.06    -0.00   0.00   0.00
    26   1     0.01  -0.01   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    27   1     0.00   0.00  -0.00    -0.00  -0.01  -0.02     0.01   0.01  -0.00
    28   1     0.01   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.01  -0.00
    29   1     0.03  -0.02   0.01    -0.47  -0.03   0.11     0.06  -0.00  -0.01
    30   1     0.03  -0.02  -0.01     0.48   0.05   0.03    -0.02  -0.01  -0.00
    31   1     0.02  -0.04   0.01     0.05   0.17   0.70     0.01  -0.04  -0.05
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1506.5567              1525.5232              1546.8706
 Red. masses --      1.0584                 2.3935                 3.5087
 Frc consts  --      1.4154                 3.2819                 4.9465
 IR Inten    --     49.8362                34.1874                75.4727
 RamAct Fr= 1--     14.9694               142.4667                 6.8542
  Dep-P Fr= 1--      0.4779                 0.2524                 0.2239
  Dep-U Fr= 1--      0.6467                 0.4031                 0.3659
 Alpha2 Fr= 1--      0.0817                 1.6770                 0.0873
 Beta2  Fr= 1--      1.6134                 9.5720                 0.4180
 AlphaG Fr= 1--     -0.0164                -0.2938                 0.1037
 Gamma2 Fr= 1--      0.0020                -1.3475                -0.1557
 Delta2 Fr= 1--      0.0692                 0.6573                -0.1469
 Raman1 Fr= 1--      59.877                569.867                 27.417
 ROA1   Fr= 1--       2.408               -108.324                -19.648
 CID1   Fr= 1--       0.040                 -0.190                 -0.717
 Raman2 Fr= 1--      19.361                114.863                  5.016
 ROA2   Fr= 1--      -0.505                -37.598                 -2.562
 CID2   Fr= 1--      -0.026                 -0.327                 -0.511
 Raman3 Fr= 1--      38.722                229.727                 10.031
 ROA3   Fr= 1--       2.408               -108.324                -19.648
 CID3   Fr= 1--       0.062                 -0.472                 -1.959
 RC180  Fr= 1--       0.293                 -0.194                 -0.268
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.08  -0.02  -0.00     0.14  -0.05   0.00
     2   6     0.00   0.00  -0.00    -0.12   0.03  -0.00     0.13  -0.07   0.01
     3   6     0.00  -0.00   0.00     0.07  -0.04   0.01    -0.05  -0.06   0.02
     4   6    -0.01  -0.01   0.00    -0.13  -0.02   0.01     0.02   0.17  -0.04
     5   6     0.00   0.01  -0.00     0.06   0.10  -0.03    -0.05  -0.13   0.03
     6   6     0.01  -0.01   0.00     0.11  -0.08   0.01    -0.09   0.10  -0.02
     7   6    -0.01  -0.00   0.00    -0.08   0.06  -0.01    -0.13   0.12  -0.02
     8   1    -0.02   0.01  -0.00    -0.26   0.08  -0.00     0.13  -0.14   0.03
     9   1    -0.03  -0.01   0.00    -0.37  -0.21   0.07     0.26   0.09  -0.04
    10   1    -0.03   0.01  -0.00    -0.40   0.11  -0.00     0.34  -0.07  -0.00
    11   6     0.00   0.00  -0.00     0.04   0.01  -0.01    -0.02  -0.03   0.01
    12   6     0.00   0.00   0.00     0.01   0.00  -0.00    -0.00  -0.00   0.00
    13   6     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    14   1    -0.01  -0.00   0.00     0.01  -0.00   0.00     0.17   0.06  -0.02
    15   1    -0.02  -0.01  -0.01    -0.09  -0.06  -0.03     0.03   0.01   0.00
    16   1     0.00  -0.01   0.01     0.02  -0.03   0.09    -0.00   0.02  -0.02
    17   1    -0.01   0.01  -0.01    -0.06   0.05  -0.04    -0.00  -0.02   0.02
    18   8    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    19   8     0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    20   1     0.00  -0.00  -0.00     0.00   0.00  -0.01    -0.00   0.01  -0.00
    21   6     0.00  -0.00   0.00    -0.05  -0.06   0.02    -0.05  -0.15   0.04
    22   6     0.02   0.01  -0.00     0.14  -0.02  -0.00     0.08   0.16  -0.04
    23   6    -0.01   0.00   0.00    -0.03   0.05  -0.01    -0.10  -0.03   0.01
    24   8    -0.02  -0.01   0.00    -0.05   0.01   0.00    -0.03  -0.02   0.01
    25   6    -0.04  -0.04   0.01    -0.02   0.02  -0.00    -0.01   0.02  -0.00
    26   1     0.01  -0.01   0.00     0.30  -0.09   0.00     0.45  -0.11  -0.00
    27   1    -0.01  -0.01   0.00     0.32   0.20  -0.07     0.38   0.15  -0.06
    28   1     0.04  -0.02   0.00     0.17  -0.02  -0.01     0.24  -0.18   0.03
    29   1     0.20   0.37  -0.48     0.12  -0.15   0.15     0.06  -0.05   0.05
    30   1     0.26   0.55   0.23     0.11  -0.21  -0.08     0.06  -0.07  -0.03
    31   1     0.14  -0.36   0.08     0.05  -0.13   0.03     0.06  -0.12   0.02
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1607.0611              1651.6738              1675.6847
 Red. masses --      6.7904                 5.6376                 6.2950
 Frc consts  --     10.3326                 9.0614                10.4143
 IR Inten    --      4.9758                84.6562                86.1766
 RamAct Fr= 1--     84.6849                26.5124               438.6605
  Dep-P Fr= 1--      0.5875                 0.5602                 0.3637
  Dep-U Fr= 1--      0.7401                 0.7181                 0.5334
 Alpha2 Fr= 1--      0.2569                 0.0956                 3.6818
 Beta2  Fr= 1--     10.4464                 3.1730                38.9971
 AlphaG Fr= 1--      0.2467                -0.0368                -0.1331
 Gamma2 Fr= 1--     -1.9687                 0.3319                 5.0018
 Delta2 Fr= 1--      0.7669                -1.9047                 0.1887
 Raman1 Fr= 1--     338.739                106.050               1754.642
 ROA1   Fr= 1--    -164.453                -29.087                486.214
 CID1   Fr= 1--      -0.485                 -0.274                  0.277
 Raman2 Fr= 1--     125.357                 38.076                467.966
 ROA2   Fr= 1--     -53.384                 23.204                118.534
 CID2   Fr= 1--      -0.426                  0.609                  0.253
 Raman3 Fr= 1--     250.714                 76.151                935.931
 ROA3   Fr= 1--    -164.453                -29.087                486.214
 CID3   Fr= 1--      -0.656                 -0.382                  0.519
 RC180  Fr= 1--       0.480                  0.436                  0.067
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06   0.27  -0.07    -0.05  -0.02   0.01    -0.25   0.09  -0.01
     2   6    -0.09  -0.26   0.07     0.00   0.00  -0.00     0.24  -0.08   0.00
     3   6     0.10  -0.17   0.03     0.22  -0.12   0.02     0.20  -0.09   0.01
     4   6    -0.04   0.22  -0.05    -0.20   0.10  -0.01    -0.12   0.07  -0.01
     5   6    -0.17  -0.14   0.05     0.24   0.06  -0.03     0.15   0.03  -0.02
     6   6     0.13   0.08  -0.03    -0.24   0.02   0.01    -0.21   0.05   0.00
     7   6    -0.15  -0.09   0.03    -0.19   0.02   0.01     0.25  -0.07   0.00
     8   1    -0.34   0.01   0.02    -0.35   0.09   0.00    -0.32   0.11  -0.01
     9   1     0.18   0.13  -0.04    -0.21  -0.30   0.09    -0.09  -0.16   0.04
    10   1    -0.12   0.19  -0.04     0.18  -0.17   0.03     0.24  -0.14   0.02
    11   6    -0.00  -0.02   0.00     0.02  -0.02  -0.00     0.01  -0.01   0.00
    12   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    13   6     0.00   0.00   0.00    -0.00   0.00   0.01     0.00   0.00   0.00
    14   1     0.17   0.06  -0.02     0.11   0.03  -0.01     0.07   0.02  -0.01
    15   1     0.01  -0.00  -0.02    -0.02  -0.01  -0.00    -0.00  -0.00  -0.00
    16   1    -0.00   0.02   0.00     0.01  -0.00   0.03     0.00   0.01   0.01
    17   1    -0.02   0.00   0.00    -0.02   0.00   0.00    -0.01  -0.00   0.01
    18   8    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    19   8    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    20   1    -0.00   0.00   0.00     0.00   0.00  -0.02     0.01  -0.00  -0.02
    21   6     0.21   0.16  -0.05     0.20   0.02  -0.02    -0.18  -0.01   0.01
    22   6     0.00  -0.24   0.06    -0.19   0.13  -0.02     0.15  -0.11   0.02
    23   6    -0.05   0.16  -0.04     0.19  -0.13   0.02    -0.23   0.11  -0.01
    24   8     0.01   0.02  -0.00     0.02  -0.02   0.00    -0.01   0.01  -0.00
    25   6    -0.01  -0.01   0.00     0.02  -0.00   0.00    -0.02   0.01  -0.00
    26   1     0.09  -0.20   0.04     0.15  -0.13   0.02    -0.30   0.16  -0.02
    27   1    -0.27  -0.18   0.06    -0.17  -0.25   0.07     0.09   0.20  -0.05
    28   1     0.23   0.05  -0.03    -0.28   0.06   0.00     0.31  -0.11   0.01
    29   1     0.01   0.00  -0.02    -0.06   0.05  -0.04     0.05  -0.04   0.04
    30   1     0.01   0.01   0.01    -0.05   0.06   0.02     0.05  -0.05  -0.02
    31   1    -0.03   0.03  -0.01     0.01   0.03  -0.01    -0.01  -0.02   0.01
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1835.6012              3011.2051              3013.1942
 Red. masses --     10.4357                 1.0347                 1.0813
 Frc consts  --     20.7172                 5.5275                 5.7843
 IR Inten    --    403.0044                66.4052                 9.6799
 RamAct Fr= 1--     35.9051               263.1301                98.9321
  Dep-P Fr= 1--      0.3216                 0.0493                 0.1449
  Dep-U Fr= 1--      0.4867                 0.0941                 0.2532
 Alpha2 Fr= 1--      0.3449                 5.2057                 1.5491
 Beta2  Fr= 1--      2.9123                 4.1247                 4.1748
 AlphaG Fr= 1--     -1.3724                 0.1029                -0.4605
 Gamma2 Fr= 1--     -6.7335                -0.0364                -3.3230
 Delta2 Fr= 1--      0.7749                 0.0455                -2.7312
 Raman1 Fr= 1--     143.620               1052.520                395.728
 ROA1   Fr= 1--    -621.622                 -2.038               -406.410
 CID1   Fr= 1--      -4.328                 -0.002                 -1.027
 Raman2 Fr= 1--      34.948                 49.497                 50.097
 ROA2   Fr= 1--    -167.805                 -1.237                -57.903
 CID2   Fr= 1--      -4.802                 -0.025                 -1.156
 Raman3 Fr= 1--      69.896                 98.994                100.195
 ROA3   Fr= 1--    -621.622                 -2.038               -406.410
 CID3   Fr= 1--      -8.894                 -0.021                 -4.056
 RC180  Fr= 1--      -0.027                 -0.812                 -0.494
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     2   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     3   6     0.00   0.01  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     4   6    -0.01  -0.02   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     5   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     6   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     7   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     8   1    -0.00   0.00  -0.01     0.00   0.00  -0.00     0.00   0.00  -0.00
     9   1    -0.01  -0.00  -0.00     0.00  -0.00   0.00     0.01  -0.01   0.00
    10   1    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    11   6    -0.03  -0.03  -0.00    -0.00   0.00  -0.00     0.04  -0.07   0.03
    12   6     0.01   0.00  -0.01     0.00  -0.00   0.00    -0.00   0.01  -0.00
    13   6     0.59   0.42  -0.17     0.00   0.00  -0.00    -0.00  -0.00   0.00
    14   1    -0.02  -0.02  -0.04     0.01  -0.03   0.01    -0.42   0.83  -0.34
    15   1     0.01   0.03   0.03    -0.00   0.00  -0.00     0.04  -0.08   0.03
    16   1     0.02   0.05   0.03     0.00  -0.00   0.00     0.01   0.00   0.00
    17   1    -0.06  -0.03   0.10     0.00  -0.00  -0.00    -0.01  -0.02  -0.01
    18   8    -0.37  -0.26   0.12    -0.00  -0.00   0.00     0.00   0.00  -0.00
    19   8    -0.04  -0.04  -0.02     0.00   0.00  -0.00     0.00   0.00  -0.00
    20   1    -0.07   0.16   0.41    -0.00  -0.00   0.00     0.00  -0.00   0.00
    21   6     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    22   6    -0.01   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    23   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    24   8     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    25   6    -0.00   0.00  -0.00    -0.01   0.05  -0.01    -0.00   0.00  -0.00
    26   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    27   1    -0.00  -0.00   0.00    -0.01   0.02  -0.00    -0.00   0.00  -0.00
    28   1    -0.01   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    29   1     0.00  -0.00   0.00    -0.11  -0.49  -0.45    -0.00  -0.02  -0.01
    30   1    -0.00  -0.00  -0.00    -0.04  -0.23   0.63    -0.00  -0.01   0.02
    31   1    -0.00   0.00   0.00     0.27   0.12  -0.05     0.01   0.00  -0.00
                     76                     77                     78
                      A                      A                      A
 Frequencies --   3050.3384              3068.4082              3114.0082
 Red. masses --      1.0348                 1.1060                 1.1027
 Frc consts  --      5.6729                 6.1353                 6.3002
 IR Inten    --     16.5044                34.2676                15.7118
 RamAct Fr= 1--    181.4944                84.3492                35.2028
  Dep-P Fr= 1--      0.0317                 0.7500                 0.6542
  Dep-U Fr= 1--      0.0615                 0.8571                 0.7909
 Alpha2 Fr= 1--      3.7439                 0.0000                 0.0604
 Beta2  Fr= 1--      1.8599                12.0497                 4.6405
 AlphaG Fr= 1--     -0.5342                 0.0244                 0.0083
 Gamma2 Fr= 1--      0.6778                 0.4471                -5.9719
 Delta2 Fr= 1--      4.0104                 0.7606                -2.2351
 Raman1 Fr= 1--     725.978                337.397                140.811
 ROA1   Fr= 1--     193.399                 67.258               -644.831
 CID1   Fr= 1--       0.266                  0.199                 -4.579
 Raman2 Fr= 1--      22.319                144.596                 55.686
 ROA2   Fr= 1--     -15.817                  4.645               -125.446
 CID2   Fr= 1--      -0.709                  0.032                 -2.253
 Raman3 Fr= 1--      44.637                289.192                111.373
 ROA3   Fr= 1--     193.399                 67.258               -644.831
 CID3   Fr= 1--       4.333                  0.233                 -5.790
 RC180  Fr= 1--      -0.877                  0.714                  0.582
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     2   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     3   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     4   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     5   6    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     6   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     7   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     8   1    -0.00  -0.01   0.00     0.00  -0.00  -0.00    -0.01  -0.03   0.01
     9   1     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.01  -0.01   0.00
    10   1     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    11   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.01   0.00
    12   6    -0.00  -0.00   0.05     0.00   0.00  -0.00     0.01  -0.09  -0.01
    13   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    14   1    -0.02   0.03  -0.01     0.00  -0.00   0.00    -0.03   0.07  -0.03
    15   1    -0.25   0.52  -0.23     0.00  -0.00   0.00    -0.30   0.59  -0.28
    16   1     0.47   0.03  -0.03    -0.00  -0.00   0.00    -0.03  -0.02   0.00
    17   1    -0.20  -0.50  -0.32     0.00   0.00   0.00     0.23   0.54   0.36
    18   8     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    19   8     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    20   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    21   6    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    22   6     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    23   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    24   8    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    25   6     0.00  -0.00  -0.00    -0.01  -0.02  -0.09     0.00   0.00  -0.00
    26   1    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    27   1     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    28   1     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    29   1     0.00   0.00   0.00     0.13   0.52   0.45     0.00   0.00   0.00
    30   1     0.00   0.00  -0.00    -0.06  -0.25   0.65    -0.00  -0.00   0.00
    31   1    -0.00  -0.00   0.00    -0.00  -0.01  -0.02    -0.00  -0.00   0.00
                     79                     80                     81
                      A                      A                      A
 Frequencies --   3132.7215              3137.5546              3155.9987
 Red. masses --      1.1021                 1.0990                 1.0898
 Frc consts  --      6.3725                 6.3745                 6.3954
 IR Inten    --     17.8231                22.9914                 6.2709
 RamAct Fr= 1--    209.9186               183.1630                42.7161
  Dep-P Fr= 1--      0.4702                 0.4417                 0.3163
  Dep-U Fr= 1--      0.6397                 0.6127                 0.4806
 Alpha2 Fr= 1--      1.1836                 1.1606                 0.4170
 Beta2  Fr= 1--     22.3794                18.7053                 3.4218
 AlphaG Fr= 1--      0.7704                -0.0620                -0.2477
 Gamma2 Fr= 1--      6.2921                -0.0203                 0.9516
 Delta2 Fr= 1--     -0.3124                -0.2663                 1.1580
 Raman1 Fr= 1--     839.674                732.652                170.864
 ROA1   Fr= 1--     594.046                -10.469                128.412
 CID1   Fr= 1--       0.707                 -0.014                  0.752
 Raman2 Fr= 1--     268.553                224.464                 41.061
 ROA2   Fr= 1--     153.510                  1.644                 13.574
 CID2   Fr= 1--       0.572                  0.007                  0.331
 Raman3 Fr= 1--     537.105                448.928                 82.123
 ROA3   Fr= 1--     594.046                -10.469                128.412
 CID3   Fr= 1--       1.106                 -0.023                  1.564
 RC180  Fr= 1--       0.279                  0.225                 -0.039
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     2   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     3   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.03  -0.08   0.02
     4   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     5   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     6   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     7   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.01  -0.00
     8   1     0.01   0.01  -0.00     0.00   0.00  -0.00     0.36   0.89  -0.24
     9   1    -0.01   0.01  -0.00     0.00  -0.00   0.00    -0.02   0.02  -0.00
    10   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.01   0.02  -0.01
    11   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    12   6    -0.09  -0.01  -0.02     0.00  -0.00   0.00     0.00  -0.00   0.00
    13   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    14   1     0.01  -0.03   0.01    -0.00   0.00  -0.00     0.00   0.00  -0.00
    15   1     0.10  -0.25   0.11    -0.00   0.00  -0.00    -0.01   0.03  -0.01
    16   1     0.88   0.06  -0.07    -0.01  -0.00   0.00    -0.01  -0.00   0.00
    17   1     0.10   0.29   0.18    -0.00  -0.00  -0.00     0.00   0.01   0.01
    18   8     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    19   8     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    20   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    21   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    22   6     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    23   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    24   8    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    25   6    -0.00  -0.00   0.00    -0.08  -0.05   0.02     0.00  -0.00   0.00
    26   1    -0.00  -0.00   0.00     0.00   0.01  -0.00    -0.04  -0.08   0.02
    27   1     0.00  -0.00   0.00     0.02  -0.02   0.00    -0.01   0.01  -0.00
    28   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    29   1     0.00   0.00   0.00     0.02   0.13   0.14     0.00   0.00   0.00
    30   1     0.00   0.00  -0.00     0.00   0.05  -0.18     0.00   0.00  -0.00
    31   1     0.01   0.00  -0.00     0.87   0.38  -0.15    -0.00  -0.00   0.00
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3162.7325              3174.0610              3181.3778
 Red. masses --      1.0866                 1.0892                 1.0944
 Frc consts  --      6.4037                 6.4650                 6.5261
 IR Inten    --      5.1240                 7.3930                12.8746
 RamAct Fr= 1--     86.5182                70.5091               139.9378
  Dep-P Fr= 1--      0.6003                 0.4303                 0.2001
  Dep-U Fr= 1--      0.7502                 0.6017                 0.3335
 Alpha2 Fr= 1--      0.2399                 0.4669                 1.8997
 Beta2  Fr= 1--     10.8177                 7.0711                 7.7786
 AlphaG Fr= 1--      0.1559                 0.0010                 0.2030
 Gamma2 Fr= 1--      1.7828                 0.5171                 0.1839
 Delta2 Fr= 1--      0.6631                 0.2322                -0.1712
 Raman1 Fr= 1--     346.073                282.036                559.751
 ROA1   Fr= 1--     192.373                 57.072                 12.176
 CID1   Fr= 1--       0.556                  0.202                  0.022
 Raman2 Fr= 1--     129.813                 84.854                 93.343
 ROA2   Fr= 1--      37.483                 10.553                  5.783
 CID2   Fr= 1--       0.289                  0.124                  0.062
 Raman3 Fr= 1--     259.625                169.707                186.685
 ROA3   Fr= 1--     192.373                 57.072                 12.176
 CID3   Fr= 1--       0.741                  0.336                  0.065
 RC180  Fr= 1--       0.500                  0.203                 -0.333
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     2   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     3   6    -0.00   0.00  -0.00    -0.00  -0.01   0.00     0.00   0.00  -0.00
     4   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     5   6     0.04  -0.06   0.01     0.00  -0.00   0.00     0.03  -0.04   0.01
     6   6     0.02   0.04  -0.01    -0.00  -0.00   0.00    -0.03  -0.06   0.02
     7   6     0.00   0.00  -0.00    -0.03  -0.08   0.02    -0.00  -0.00   0.00
     8   1    -0.00  -0.01   0.00     0.04   0.08  -0.02    -0.01  -0.03   0.01
     9   1    -0.51   0.65  -0.13    -0.00   0.01  -0.00    -0.33   0.41  -0.08
    10   1    -0.20  -0.49   0.13     0.00   0.01  -0.00     0.30   0.73  -0.20
    11   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    12   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    13   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    14   1    -0.01   0.01  -0.01     0.00   0.00  -0.00    -0.00   0.01  -0.00
    15   1    -0.00   0.01  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    16   1    -0.01  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    17   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    18   8     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    19   8     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    20   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    21   6     0.00  -0.00   0.00    -0.01   0.01  -0.00     0.00  -0.00   0.00
    22   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    23   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.01   0.02  -0.00
    24   8     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    25   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    26   1    -0.00  -0.00   0.00     0.36   0.87  -0.23     0.00   0.00  -0.00
    27   1    -0.00   0.00  -0.00     0.11  -0.15   0.03    -0.00   0.00  -0.00
    28   1     0.01   0.03  -0.01     0.02   0.05  -0.01    -0.08  -0.18   0.05
    29   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    30   1    -0.00  -0.00   0.00    -0.00  -0.00   0.01     0.00  -0.00   0.00
    31   1    -0.00  -0.00   0.00    -0.01  -0.01   0.00     0.00   0.00  -0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3188.4167              3216.8358              3716.2858
 Red. masses --      1.0904                 1.0912                 1.0650
 Frc consts  --      6.5312                 6.6528                 8.6661
 IR Inten    --      6.2467                 6.3038               131.3129
 RamAct Fr= 1--    170.2250               139.4896               222.0876
  Dep-P Fr= 1--      0.2392                 0.2382                 0.2200
  Dep-U Fr= 1--      0.3860                 0.3847                 0.3607
 Alpha2 Fr= 1--      2.0791                 1.7084                 2.8585
 Beta2  Fr= 1--     10.9525                 8.9442                13.3509
 AlphaG Fr= 1--     -0.0124                 0.0085                -3.3902
 Gamma2 Fr= 1--     -0.4561                -0.4252               -46.4396
 Delta2 Fr= 1--     -0.2084                 0.3298                 2.4714
 Raman1 Fr= 1--     680.900                557.959                888.350
 ROA1   Fr= 1--     -50.455                -30.265              -4379.117
 CID1   Fr= 1--      -0.074                 -0.054                 -4.929
 Raman2 Fr= 1--     131.430                107.331                160.211
 ROA2   Fr= 1--      -9.280                -12.843              -1134.322
 CID2   Fr= 1--      -0.071                 -0.120                 -7.080
 Raman3 Fr= 1--     262.859                214.662                320.422
 ROA3   Fr= 1--     -50.455                -30.265              -4379.117
 CID3   Fr= 1--      -0.192                 -0.141                -13.667
 RC180  Fr= 1--      -0.228                 -0.231                 -0.279
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     2   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     3   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     4   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     5   6     0.00  -0.01   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     6   6    -0.01  -0.01   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     7   6     0.00   0.00  -0.00    -0.01  -0.02   0.00    -0.00   0.00  -0.00
     8   1    -0.01  -0.01   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     9   1    -0.05   0.06  -0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    10   1     0.07   0.17  -0.04    -0.00  -0.00   0.00     0.00   0.00  -0.00
    11   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    12   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    13   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    14   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    15   1     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    16   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    17   1     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    18   8    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    19   8     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.05  -0.03   0.01
    20   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.84   0.54  -0.09
    21   6     0.00   0.00  -0.00     0.05  -0.07   0.01     0.00   0.00  -0.00
    22   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    23   6    -0.03  -0.08   0.02    -0.00  -0.00   0.00     0.00  -0.00   0.00
    24   8     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    25   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    26   1    -0.02  -0.05   0.01     0.07   0.17  -0.04    -0.00  -0.00   0.00
    27   1    -0.00   0.00  -0.00    -0.59   0.76  -0.15     0.00  -0.00   0.00
    28   1     0.38   0.87  -0.23     0.00   0.01  -0.00     0.00   0.00  -0.00
    29   1    -0.00   0.00   0.00     0.01   0.01   0.01    -0.00  -0.00  -0.00
    30   1    -0.00   0.00  -0.00     0.00   0.01  -0.02    -0.00  -0.00   0.00
    31   1    -0.00  -0.00   0.00     0.01   0.01  -0.00     0.00   0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  8 and mass  15.99491
 Atom    19 has atomic number  8 and mass  15.99491
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  6 and mass  12.00000
 Atom    22 has atomic number  6 and mass  12.00000
 Atom    23 has atomic number  6 and mass  12.00000
 Atom    24 has atomic number  8 and mass  15.99491
 Atom    25 has atomic number  6 and mass  12.00000
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  1 and mass   1.00783
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Molecular mass:   230.09429 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1382.138778633.188329145.70260
           X            0.99986  -0.01492  -0.00738
           Y            0.01467   0.99936  -0.03277
           Z            0.00787   0.03265   0.99944
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.06267     0.01003     0.00947
 Rotational constants (GHZ):           1.30576     0.20905     0.19733
 Zero-point vibrational energy     657434.9 (Joules/Mol)
                                  157.13071 (Kcal/Mol)
 Warning -- explicit consideration of  24 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     31.25    48.57    62.41   109.73   163.21
          (Kelvin)            199.80   265.42   292.02   316.06   334.56
                              363.80   401.31   445.17   546.65   583.61
                              595.53   600.05   695.88   696.48   745.44
                              769.68   808.83   839.14   863.96   906.96
                              992.85  1003.39  1061.31  1118.56  1127.49
                             1180.22  1188.12  1204.31  1232.64  1289.89
                             1327.76  1347.80  1372.54  1391.91  1409.80
                             1480.64  1538.72  1569.12  1581.18  1678.75
                             1686.99  1691.64  1699.80  1711.18  1727.27
                             1733.98  1805.93  1867.04  1867.64  1880.40
                             1907.26  1923.06  1994.74  2019.82  2029.17
                             2036.32  2095.44  2129.66  2146.93  2152.92
                             2153.04  2167.60  2194.89  2225.60  2312.20
                             2376.39  2410.94  2641.02  4332.45  4335.31
                             4388.76  4414.76  4480.36  4507.29  4514.24
                             4540.78  4550.47  4566.77  4577.29  4587.42
                             4628.31  5346.91
 
 Zero-point correction=                           0.250404 (Hartree/Particle)
 Thermal correction to Energy=                    0.265717
 Thermal correction to Enthalpy=                  0.266662
 Thermal correction to Gibbs Free Energy=         0.206220
 Sum of electronic and zero-point Energies=           -767.719664
 Sum of electronic and thermal Energies=              -767.704351
 Sum of electronic and thermal Enthalpies=            -767.703406
 Sum of electronic and thermal Free Energies=         -767.763848
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  166.740             58.780            127.210
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             42.202
 Rotational               0.889              2.981             33.056
 Vibrational            164.963             52.818             51.952
 Vibration     1          0.593              1.985              6.470
 Vibration     2          0.594              1.983              5.595
 Vibration     3          0.595              1.980              5.098
 Vibration     4          0.599              1.965              3.985
 Vibration     5          0.607              1.938              3.209
 Vibration     6          0.614              1.914              2.819
 Vibration     7          0.631              1.861              2.283
 Vibration     8          0.639              1.836              2.106
 Vibration     9          0.647              1.811              1.962
 Vibration    10          0.653              1.791              1.859
 Vibration    11          0.664              1.758              1.711
 Vibration    12          0.679              1.713              1.540
 Vibration    13          0.699              1.656              1.365
 Vibration    14          0.750              1.513              1.039
 Vibration    15          0.771              1.458              0.942
 Vibration    16          0.778              1.440              0.913
 Vibration    17          0.780              1.433              0.902
 Vibration    18          0.840              1.286              0.700
 Vibration    19          0.840              1.285              0.699
 Vibration    20          0.873              1.210              0.614
 Vibration    21          0.890              1.173              0.576
 Vibration    22          0.918              1.113              0.520
 Vibration    23          0.940              1.068              0.479
 Vibration    24          0.959              1.031              0.449
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.139773D-94        -94.854577       -218.410734
 Total V=0       0.210398D+21         20.323042         46.795534
 Vib (Bot)       0.272455-109       -109.564705       -252.282056
 Vib (Bot)    1  0.953540D+01          0.979339          2.255011
 Vib (Bot)    2  0.613220D+01          0.787616          1.813553
 Vib (Bot)    3  0.476832D+01          0.678365          1.561994
 Vib (Bot)    4  0.270192D+01          0.431673          0.993963
 Vib (Bot)    5  0.180417D+01          0.256277          0.590100
 Vib (Bot)    6  0.146471D+01          0.165753          0.381661
 Vib (Bot)    7  0.108707D+01          0.036258          0.083488
 Vib (Bot)    8  0.981278D+00         -0.008208         -0.018900
 Vib (Bot)    9  0.900564D+00         -0.045485         -0.104734
 Vib (Bot)   10  0.846091D+00         -0.072583         -0.167129
 Vib (Bot)   11  0.770830D+00         -0.113041         -0.260287
 Vib (Bot)   12  0.689694D+00         -0.161344         -0.371508
 Vib (Bot)   13  0.611344D+00         -0.213714         -0.492095
 Vib (Bot)   14  0.475896D+00         -0.322488         -0.742557
 Vib (Bot)   15  0.437592D+00         -0.358931         -0.826469
 Vib (Bot)   16  0.426178D+00         -0.370409         -0.852899
 Vib (Bot)   17  0.421965D+00         -0.374724         -0.862833
 Vib (Bot)   18  0.344703D+00         -0.462555         -1.065072
 Vib (Bot)   19  0.344285D+00         -0.463082         -1.066286
 Vib (Bot)   20  0.312088D+00         -0.505723         -1.164470
 Vib (Bot)   21  0.297577D+00         -0.526401         -1.212084
 Vib (Bot)   22  0.275889D+00         -0.559265         -1.287755
 Vib (Bot)   23  0.260427D+00         -0.584314         -1.345434
 Vib (Bot)   24  0.248541D+00         -0.604601         -1.392146
 Vib (V=0)       0.410123D+06          5.612914         12.924212
 Vib (V=0)    1  0.100485D+02          1.002101          2.307423
 Vib (V=0)    2  0.665255D+01          0.822988          1.895000
 Vib (V=0)    3  0.529446D+01          0.723822          1.666661
 Vib (V=0)    4  0.324780D+01          0.511589          1.177977
 Vib (V=0)    5  0.237217D+01          0.375146          0.863806
 Vib (V=0)    6  0.204770D+01          0.311267          0.716719
 Vib (V=0)    7  0.169655D+01          0.229566          0.528595
 Vib (V=0)    8  0.160132D+01          0.204478          0.470828
 Vib (V=0)    9  0.153006D+01          0.184707          0.425304
 Vib (V=0)   10  0.148279D+01          0.171079          0.393923
 Vib (V=0)   11  0.141879D+01          0.151919          0.349806
 Vib (V=0)   12  0.135187D+01          0.130934          0.301487
 Vib (V=0)   13  0.128977D+01          0.110513          0.254466
 Vib (V=0)   14  0.119027D+01          0.075647          0.174183
 Vib (V=0)   15  0.116444D+01          0.066119          0.152244
 Vib (V=0)   16  0.115698D+01          0.063327          0.145816
 Vib (V=0)   17  0.115426D+01          0.062303          0.143458
 Vib (V=0)   18  0.110731D+01          0.044267          0.101930
 Vib (V=0)   19  0.110707D+01          0.044174          0.101715
 Vib (V=0)   20  0.108941D+01          0.037190          0.085632
 Vib (V=0)   21  0.108185D+01          0.034168          0.078674
 Vib (V=0)   22  0.107106D+01          0.029816          0.068653
 Vib (V=0)   23  0.106376D+01          0.026842          0.061807
 Vib (V=0)   24  0.105837D+01          0.024636          0.056726
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.137187D+09          8.137313         18.736855
 Rotational      0.373952D+07          6.572816         15.134467
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3            3333333333333                             111111111111111111111111111111111                                        
     7            2111111110000                             866655544444444333322222111110000999998888877766665555444443322222111    
     1            1887653316511                             3750420999851108320995008877699628653295322873993086318811080753208317432
     6            7814368348031                             6627767662065046767885519163791990747377760478700032584474609933034936342
 
     X            XXXXXXXXXXXXX                             XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX
     X                     X  X                             XXX XXX         X X XX  X X    X      X           X  X                   
     X                        X                             XXX X           X X XX  X X    X                                         
     X                                                      XXX X           X X XX    X                                              
     X                                                      X               X X X                                                    
     X                                                      X               X X X                                                    
     X                                                      X               X X X                                                    
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 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000001794   -0.000000985    0.000000243
      2        6           0.000002109   -0.000001420    0.000000115
      3        6          -0.000002264   -0.000001078    0.000000118
      4        6           0.000000100    0.000001040    0.000001378
      5        6           0.000001357    0.000000498   -0.000000323
      6        6          -0.000001937    0.000000896   -0.000000518
      7        6          -0.000002351    0.000000313    0.000000201
      8        1           0.000000290    0.000000696    0.000000174
      9        1           0.000000226   -0.000000047   -0.000000068
     10        1           0.000000516   -0.000000305   -0.000000097
     11        6           0.000002790    0.000001082   -0.000002405
     12        6           0.000002238    0.000000670    0.000001504
     13        6          -0.000010757   -0.000003045    0.000009697
     14        1           0.000000020    0.000000448   -0.000000071
     15        1          -0.000000449   -0.000000003   -0.000000083
     16        1          -0.000000169    0.000000520    0.000000081
     17        1          -0.000000550    0.000000615    0.000000133
     18        8           0.000006505    0.000003850   -0.000003189
     19        8           0.000001760   -0.000001745   -0.000007030
     20        1           0.000000842    0.000000284    0.000000411
     21        6          -0.000000446    0.000002132   -0.000000821
     22        6           0.000006738   -0.000003367    0.000000763
     23        6          -0.000003416    0.000002209    0.000000172
     24        8          -0.000006440    0.000003526   -0.000002390
     25        6           0.000002905   -0.000006946    0.000002879
     26        1           0.000000250   -0.000000069    0.000000080
     27        1          -0.000000246   -0.000000864    0.000000319
     28        1           0.000000355   -0.000000411   -0.000000191
     29        1          -0.000000298    0.000000484   -0.000000222
     30        1          -0.000000509    0.000000478   -0.000000815
     31        1          -0.000000964    0.000000546   -0.000000044
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000010757 RMS     0.000002558
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.309086D+03 -0.188824D+02 -0.810287D+01
      2  -0.188824D+02  0.177880D+03 -0.116687D+02
      3  -0.810287D+01 -0.116687D+02  0.121264D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.647459D+01  0.201925D+02 -0.197487D+01
      2  -0.108070D+01 -0.166630D+02 -0.305384D+02
      3   0.139514D+03 -0.553791D+02  0.207282D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.389734D+03 -0.194041D+03  0.196625D+02
      2  -0.190820D+03  0.151286D+03 -0.507261D+02
      3  -0.198913D+03  0.427554D+02  0.310636D+02
      4  -0.121933D+03  0.102911D+03 -0.468500D+02
      5   0.806332D+02 -0.565894D+02 -0.603804D+02
      6  -0.203206D+02  0.138365D+02 -0.622031D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.442850D+02  0.130977D+02 -0.999017D+00 -0.368892D+02  0.662246D+01
      2   0.130977D+02 -0.776549D+01  0.109662D+01  0.662246D+01 -0.571242D+01
      3  -0.999017D+00  0.109662D+01  0.249831D-01  0.255308D+00  0.819159D+00
                 6             7             8             9            10 
      1   0.255308D+00  0.121206D+02 -0.281792D+01 -0.100762D+01  0.417787D+02
      2   0.819159D+00 -0.281792D+01  0.147807D+01 -0.998004D+00 -0.137264D+02
      3  -0.135459D+00 -0.100762D+01 -0.998004D+00  0.631865D+00  0.108894D+01
                11            12            13            14            15 
      1  -0.137264D+02  0.108894D+01  0.399405D+02 -0.736688D+01 -0.221629D+00
      2   0.446589D+01 -0.234856D+00 -0.736688D+01  0.774109D+01 -0.125072D+01
      3  -0.234856D+00  0.670148D-01 -0.221629D+00 -0.125072D+01  0.188733D+00
                16            17            18            19            20 
      1  -0.123604D+02  0.290493D+01  0.809415D+00  0.464670D+02 -0.131086D+02
      2   0.290493D+01 -0.175309D+01  0.106895D+01 -0.131086D+02  0.114664D+02
      3   0.809415D+00  0.106895D+01 -0.425183D+00  0.119974D+01 -0.208273D+01
                21            22            23            24            25 
      1   0.119974D+01 -0.257152D+02  0.466631D+01 -0.635096D+00  0.483142D+01
      2  -0.208273D+01  0.466631D+01 -0.836356D+01  0.388761D+00 -0.900900D+00
      3   0.754075D+00 -0.635096D+00  0.388761D+00 -0.185604D+01 -0.644747D+00
                26            27            28            29            30 
      1  -0.900900D+00 -0.644747D+00 -0.564677D+02  0.734305D+01  0.366803D+00
      2  -0.253492D+00 -0.314977D+01  0.734305D+01 -0.531429D+01  0.116589D+00
      3  -0.314977D+01  0.221914D+01  0.366803D+00  0.116589D+00 -0.227625D+01
                31            32            33            34            35 
      1   0.886757D+01 -0.409114D+01 -0.793740D+00 -0.465828D+01 -0.542688D+00
      2  -0.409114D+01  0.174941D+02 -0.374038D+01 -0.542688D+00 -0.313706D+01
      3  -0.793740D+00 -0.374038D+01  0.874342D+00 -0.697115D+01  0.173279D+01
                36            37            38            39            40 
      1  -0.697115D+01  0.675889D+00 -0.243677D+01  0.575425D+00  0.144467D+02
      2   0.173279D+01 -0.243677D+01 -0.144347D+02  0.334406D+01 -0.168953D+01
      3   0.156118D+00  0.575425D+00  0.334406D+01 -0.237787D+01 -0.112605D+01
                41            42            43            44            45 
      1  -0.168953D+01 -0.112605D+01 -0.397790D+01 -0.777688D+00 -0.539753D+01
      2  -0.633008D+01  0.276924D+01 -0.777688D+00  0.378069D+01  0.211018D+01
      3   0.276924D+01  0.935159D+00 -0.539753D+01  0.211018D+01 -0.953785D+00
                46            47            48            49            50 
      1   0.526191D+01  0.250109D+01 -0.825463D+00  0.238364D+01 -0.466078D+01
      2   0.250109D+01  0.996535D+01 -0.182597D+01 -0.466078D+01  0.123080D+01
      3  -0.825463D+00 -0.182597D+01  0.182576D+01  0.134623D+01  0.143399D+01
                51            52            53            54            55 
      1   0.134623D+01 -0.490549D+00  0.129405D+01  0.792188D+00 -0.203699D+01
      2   0.143399D+01  0.129405D+01  0.138283D+01  0.412642D+01 -0.339185D+01
      3   0.632138D+00  0.792188D+00  0.412642D+01 -0.251375D+01  0.889590D+00
                56            57            58            59            60 
      1  -0.339185D+01  0.889590D+00 -0.259083D+01  0.442870D+01 -0.125312D+01
      2  -0.525393D+01  0.877871D+00  0.442870D+01 -0.285494D+01 -0.854619D+00
      3   0.877871D+00 -0.179944D+01 -0.125312D+01 -0.854619D+00 -0.650817D+00
                61            62            63            64            65 
      1   0.525244D+00 -0.130855D+01 -0.291947D+00 -0.162852D+01 -0.222110D+01
      2  -0.130855D+01 -0.926803D+00 -0.372927D+01 -0.222110D+01 -0.112210D+01
      3  -0.291947D+00 -0.372927D+01  0.245722D+01  0.603397D+00  0.307202D+00
                66            67            68            69            70 
      1   0.603397D+00 -0.289731D+01 -0.283194D+01  0.862128D+00  0.953728D+00
      2   0.307202D+00 -0.283194D+01 -0.529582D+01  0.132026D+01  0.870913D+00
      3  -0.368421D+00  0.862128D+00  0.132026D+01 -0.108282D+01 -0.282111D+00
                71            72            73            74            75 
      1   0.870913D+00 -0.282111D+00 -0.567673D+01  0.364156D+01 -0.494871D+00
      2   0.134132D+01 -0.428772D+00  0.364156D+01 -0.372333D+01  0.600190D+00
      3  -0.428772D+00  0.356125D+00 -0.494871D+00  0.600190D+00 -0.473656D+00
                76            77            78            79            80 
      1   0.409364D+01 -0.483202D+01  0.100416D+01 -0.635794D+00  0.108008D+01
      2  -0.483202D+01  0.676069D+01 -0.105741D+01  0.108008D+01 -0.124506D+01
      3   0.100416D+01 -0.105741D+01  0.843550D+00  0.231121D+00  0.499155D+00
                81            82            83            84            85 
      1   0.231121D+00  0.108559D+01  0.192105D+01 -0.514132D+00  0.830008D+00
      2   0.499155D+00  0.192105D+01  0.284473D+01 -0.734780D+00  0.189334D+01
      3  -0.340243D+00 -0.514132D+00 -0.734780D+00  0.425194D+00 -0.419477D+00
                86            87            88            89            90 
      1   0.189334D+01 -0.419477D+00 -0.209782D+00 -0.478788D+00  0.209028D+00
      2   0.101178D+02 -0.231661D+01 -0.478788D+00 -0.264294D+01  0.695641D+00
      3  -0.231661D+01  0.138495D+01  0.209028D+00  0.695641D+00 -0.431414D+00
                91            92            93            94            95 
      1   0.193213D+02 -0.210953D+01  0.241016D+00  0.673554D+01  0.124595D+01
      2  -0.210953D+01  0.195040D+01  0.766305D+00  0.124595D+01 -0.256493D+01
      3   0.241016D+00  0.766305D+00  0.283493D+01  0.789196D+00  0.227196D+01
                96            97            98            99           100 
      1   0.789196D+00 -0.385770D+01  0.181117D+01  0.842199D+01  0.977134D+01
      2   0.227196D+01  0.181117D+01  0.194721D+01 -0.261338D+00  0.304640D+00
      3   0.930915D+00  0.842199D+01 -0.261338D+00 -0.196659D+01 -0.239087D+01
               101           102           103           104           105 
      1   0.304640D+00 -0.239087D+01 -0.990023D+00 -0.188080D+01 -0.308152D+00
      2  -0.181348D+01 -0.405927D+00 -0.188080D+01 -0.111454D+00 -0.377304D+01
      3  -0.405927D+00 -0.208389D+01 -0.308152D+00 -0.377304D+01 -0.821790D+00
               106           107           108           109           110 
      1   0.696688D+01 -0.989260D+00 -0.554797D+01  0.598161D+01  0.404452D+01
      2  -0.989260D+00 -0.247843D+01 -0.134615D+00  0.404452D+01  0.179602D+01
      3  -0.554797D+01 -0.134615D+00  0.307332D+01 -0.152254D+01 -0.565616D+00
               111           112           113           114           115 
      1  -0.152254D+01  0.847461D+00  0.182528D+01 -0.133510D+01 -0.951074D+01
      2  -0.565616D+00  0.182528D+01  0.800692D+00 -0.113027D+01 -0.231029D+01
      3  -0.876364D+00 -0.133510D+01 -0.113027D+01 -0.135587D+00 -0.395260D+01
               116           117           118           119           120 
      1  -0.231029D+01 -0.395260D+01 -0.146959D+01  0.241056D+01 -0.883462D+00
      2  -0.194524D+01 -0.108199D+00  0.241056D+01 -0.201739D+01  0.114811D+00
      3  -0.108199D+00  0.490698D+00 -0.883462D+00  0.114811D+00 -0.131669D+01
               121           122           123           124           125 
      1   0.466647D+01 -0.224308D+01  0.259134D+00 -0.160208D+01  0.205351D+00
      2  -0.224308D+01  0.520036D+01 -0.119171D+01  0.205351D+00 -0.156602D+01
      3   0.259134D+00 -0.119171D+01  0.140858D+01 -0.162072D+01  0.114483D+01
               126           127           128           129           130 
      1  -0.162072D+01  0.418829D+00 -0.671679D+00  0.237238D+00 -0.188740D+01
      2   0.114483D+01 -0.671679D+00  0.904777D+00 -0.405027D+00  0.196953D+00
      3  -0.690031D+00  0.237238D+00 -0.405027D+00  0.161053D+01  0.393865D+00
               131           132           133           134           135 
      1   0.196953D+00  0.393865D+00  0.316337D+00 -0.156236D-02  0.348910D+00
      2  -0.324842D+01  0.217606D+01 -0.156236D-02  0.163812D+01 -0.133665D+01
      3   0.217606D+01 -0.272115D+01  0.348910D+00 -0.133665D+01  0.222923D+01
               136           137           138           139           140 
      1  -0.166253D+02  0.202391D+00  0.416330D+01 -0.712680D+00 -0.117774D+01
      2   0.202391D+00 -0.811049D+00 -0.239853D+00 -0.117774D+01 -0.855681D-01
      3   0.416330D+01 -0.239853D+00 -0.254841D+01  0.256151D-01  0.709133D+00
               141           142           143           144           145 
      1   0.256151D-01  0.145281D+01  0.159722D+00 -0.131769D+01 -0.476952D+00
      2   0.709133D+00  0.159722D+00  0.109770D+00 -0.369826D-01  0.803126D+00
      3  -0.139570D+00 -0.131769D+01 -0.369826D-01  0.448192D+00  0.692970D+00
               146           147           148           149           150 
      1   0.803126D+00  0.692970D+00  0.136769D+01  0.344573D-01 -0.446220D+00
      2   0.984872D+00  0.705787D+00  0.344573D-01  0.391311D+01  0.311290D+01
      3   0.705787D+00  0.156263D+01 -0.446220D+00  0.311290D+01  0.360087D+01
               151           152           153           154           155 
      1  -0.231693D-01 -0.588504D-01  0.120009D+00 -0.164499D+02 -0.522918D+01
      2  -0.588504D-01  0.215806D+01  0.230579D+01 -0.522918D+01 -0.315919D+01
      3   0.120009D+00  0.230579D+01  0.365811D+01  0.100557D+01 -0.240514D+00
               156           157           158           159           160 
      1   0.100557D+01 -0.894138D+01 -0.607080D+01  0.674233D+00  0.184039D+01
      2  -0.240514D+00 -0.607080D+01 -0.518865D+01  0.629676D+00  0.896413D+00
      3  -0.245104D+01  0.674233D+00  0.629676D+00 -0.153400D+01 -0.219231D+01
               161           162           163           164           165 
      1   0.896413D+00 -0.219231D+01 -0.125015D+02 -0.369153D+01 -0.303062D+01
      2   0.134528D+01 -0.120796D+01 -0.369153D+01 -0.653591D+00 -0.205788D-01
      3  -0.120796D+01  0.175833D+01 -0.303062D+01 -0.205788D-01 -0.124511D+01
               166           167           168           169           170 
      1  -0.813251D+01 -0.157106D+01 -0.118556D+01  0.210998D+01  0.459527D+00
      2  -0.157106D+01 -0.131340D+01 -0.183310D+01  0.459527D+00 -0.239543D+00
      3  -0.118556D+01 -0.183310D+01 -0.251128D+01 -0.646267D+00 -0.145207D+01
               171           172           173           174           175 
      1  -0.646267D+00  0.101053D+02  0.302858D+01  0.112097D+01  0.913270D+01
      2  -0.145207D+01  0.302858D+01  0.102220D+01  0.581251D+00  0.159695D+01
      3  -0.681218D+01  0.112097D+01  0.581251D+00  0.277138D+01  0.152614D+01
               176           177           178           179           180 
      1   0.159695D+01  0.152614D+01  0.395120D+01  0.646990D+00  0.168442D+01
      2   0.641192D+00 -0.381788D+00  0.646990D+00 -0.930562D+00  0.652695D+00
      3  -0.381788D+00  0.179024D+01  0.168442D+01  0.652695D+00 -0.155682D+01
               181           182           183           184           185 
      1   0.299376D+01  0.195451D+01 -0.339866D+00 -0.160744D+02  0.420764D+01
      2   0.195451D+01  0.102460D+02 -0.246639D+01  0.420764D+01  0.265227D+01
      3  -0.339866D+00 -0.246639D+01  0.235772D+01  0.802381D+00 -0.201521D+01
               186           187           188           189           190 
      1   0.802381D+00  0.413063D+01 -0.354552D+00  0.395362D+01  0.369704D+02
      2  -0.201521D+01 -0.354552D+00 -0.284546D+01 -0.236160D+01 -0.879338D+01
      3  -0.812657D+00  0.395362D+01 -0.236160D+01  0.102276D+01  0.650641D+00
               191           192           193           194           195 
      1  -0.879338D+01  0.650641D+00 -0.429059D+01  0.399189D+01  0.977799D+00
      2   0.978977D+01 -0.131627D+01  0.399189D+01 -0.141630D+02  0.294561D+01
      3  -0.131627D+01  0.286211D+01  0.977799D+00  0.294561D+01 -0.768924D+00
               196           197           198           199           200 
      1  -0.383189D+00  0.126164D+01  0.688082D+01 -0.381653D+02  0.141435D+02
      2   0.126164D+01  0.212312D+01 -0.204209D+01  0.141435D+02 -0.965140D+01
      3   0.688082D+01 -0.204209D+01 -0.130794D+00 -0.128101D+01  0.183573D+01
               201           202           203           204           205 
      1  -0.128101D+01  0.206117D+02 -0.676737D+01  0.775774D+00 -0.244714D+01
      2   0.183573D+01 -0.676737D+01  0.837615D+01 -0.791047D-01  0.121487D+01
      3  -0.530533D+00  0.775774D+00 -0.791047D-01  0.156841D+01  0.580367D+00
               206           207           208           209           210 
      1   0.121487D+01  0.580367D+00 -0.742236D+01  0.511492D+01 -0.818287D+00
      2   0.836328D+00  0.422975D+01  0.511492D+01 -0.448636D+01  0.881450D+00
      3   0.422975D+01 -0.270181D+01 -0.818287D+00  0.881450D+00  0.944849D-01
               211           212           213           214           215 
      1  -0.172460D+01  0.349140D+01 -0.755961D+00  0.949234D+00 -0.107278D+01
      2   0.349140D+01  0.853400D+00 -0.484250D+00 -0.107278D+01  0.432118D+00
      3  -0.755961D+00 -0.484250D+00 -0.874703D+00  0.461291D+00  0.728312D+00
               216           217           218           219           220 
      1   0.461291D+00  0.835771D+00 -0.500227D+01  0.105014D+01 -0.320821D+01
      2   0.728312D+00 -0.500227D+01  0.243117D+01  0.951559D-01 -0.197439D+01
      3  -0.171832D+00  0.105014D+01  0.951559D-01  0.576760D-01  0.481262D+00
               221           222           223           224           225 
      1  -0.197439D+01  0.481262D+00  0.413090D+00  0.531514D+00 -0.268362D+01
      2   0.263146D+01  0.211301D+01  0.531514D+00  0.156792D+01  0.412323D+01
      3   0.211301D+01  0.525990D+01 -0.268362D+01  0.412323D+01 -0.334990D+01
               226           227           228           229           230 
      1  -0.660975D+00 -0.169322D+01  0.449691D+00 -0.443664D+00 -0.125107D+01
      2  -0.169322D+01 -0.244590D+01  0.646213D+00 -0.125107D+01 -0.877643D+01
      3   0.449691D+00  0.646213D+00 -0.392559D+00  0.302582D+00  0.201181D+01
               231           232           233           234           235 
      1   0.302582D+00  0.179496D+00  0.423772D+00 -0.362952D-01  0.590842D+01
      2   0.201181D+01  0.423772D+00  0.221700D+01 -0.631420D+00 -0.320771D+01
      3  -0.128985D+01 -0.362952D-01 -0.631420D+00  0.400980D+00  0.390301D+00
               236           237           238           239           240 
      1  -0.320771D+01  0.390301D+00 -0.473460D+01  0.461176D+01 -0.974980D+00
      2   0.283169D+01 -0.442118D+00  0.461176D+01 -0.573814D+01  0.954031D+00
      3  -0.442118D+00  0.309606D+00 -0.974980D+00  0.954031D+00 -0.732153D+00
               241           242           243           244           245 
      1   0.717923D+00 -0.101454D+01 -0.249031D+00  0.209300D+01  0.292219D+01
      2  -0.101454D+01  0.116133D+01 -0.277497D+00  0.292219D+01  0.225791D+01
      3  -0.249031D+00 -0.277497D+00  0.257163D+00 -0.797891D+00 -0.625853D+00
               246           247           248           249           250 
      1  -0.797891D+00  0.363404D+01  0.371381D+01 -0.997328D+00 -0.974535D+00
      2  -0.625853D+00  0.371381D+01  0.710621D+01 -0.171501D+01 -0.100939D+01
      3   0.563076D+00 -0.997328D+00 -0.171501D+01  0.129149D+01  0.551965D+00
               251           252           253           254           255 
      1  -0.100939D+01  0.551965D+00 -0.882372D+00  0.433757D-01 -0.844827D+00
      2  -0.181806D+01  0.538934D+00  0.433757D-01 -0.699704D+00 -0.284760D-01
      3   0.538934D+00 -0.434464D+00 -0.844827D+00 -0.284760D-01 -0.519480D+00
               256           257           258           259           260 
      1  -0.269379D+01  0.286761D+01  0.146835D+01 -0.369010D+01  0.191640D+01
      2   0.286761D+01 -0.513295D+01 -0.290389D+01  0.191640D+01 -0.308438D+01
      3   0.146835D+01 -0.290389D+01 -0.272829D+01  0.220480D+01 -0.296240D+01
               261           262           263           264           265 
      1   0.220480D+01 -0.321855D-01  0.234449D+00  0.117857D+01 -0.894977D+00
      2  -0.296240D+01  0.234449D+00 -0.491241D+00 -0.262720D+00  0.150567D+01
      3  -0.306736D+01  0.117857D+01 -0.262720D+00 -0.180851D-01 -0.120617D+01
               266           267           268           269           270 
      1   0.150567D+01 -0.120617D+01  0.540288D+01 -0.195187D+01  0.380761D+01
      2  -0.177970D+01  0.145843D+01 -0.195187D+01  0.180415D+01 -0.266541D+01
      3   0.145843D+01 -0.221134D+01  0.380761D+01 -0.266541D+01  0.661333D+01
               271           272           273           274           275 
      1   0.151125D+02  0.157201D+01 -0.116145D+01  0.526370D+01  0.150844D+01
      2   0.157201D+01  0.886039D+00 -0.715541D-01  0.150844D+01  0.114010D+01
      3  -0.116145D+01 -0.715541D-01  0.115664D+01 -0.285579D+00 -0.386913D+00
               276           277           278           279 
      1  -0.285579D+00 -0.204055D+01 -0.877103D-01  0.178405D+01
      2  -0.386913D+00 -0.877103D-01 -0.457180D+00 -0.172631D+00
      3   0.297133D+00  0.178405D+01 -0.172631D+00 -0.226426D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.217498D+01  0.287473D+01  0.159322D+00  0.217796D+01 -0.876021D+00
      2   0.197349D+01  0.101036D+02 -0.108938D+01  0.704366D+01 -0.737504D+01
      3  -0.231602D+02  0.464594D+02 -0.107072D+02  0.225282D+02 -0.303855D+02
                 6             7             8             9            10 
      1  -0.149686D+00 -0.508800D+01  0.787571D+01 -0.189356D+01 -0.479490D+00
      2   0.196782D+01 -0.209130D+02  0.402691D+01 -0.149555D+00 -0.250140D+01
      3   0.622614D+01  0.193351D+01  0.309729D+01 -0.426632D+00  0.308421D+02
                11            12            13            14            15 
      1   0.335629D+01 -0.119724D+01  0.159593D+00  0.646015D+00  0.631328D-01
      2   0.102175D+02 -0.599242D+01  0.641181D+01 -0.659467D+01  0.138986D+01
      3   0.359724D+02 -0.960007D+01  0.755969D+02 -0.345750D+02  0.409932D+01
                16            17            18            19            20 
      1  -0.520089D+01  0.699632D+01 -0.154865D+01 -0.305928D+01 -0.100075D+01
      2  -0.237319D+02  0.380011D+01  0.667613D+00 -0.512612D+01 -0.870128D+01
      3  -0.147082D+02  0.504785D+01 -0.621468D+00  0.225901D+02 -0.439777D+02
                21            22            23            24            25 
      1   0.778140D-01 -0.117402D+01  0.535021D-01 -0.105746D+01 -0.678581D+01
      2   0.962508D+00 -0.225394D+01  0.322158D+01  0.942430D+00 -0.200710D+02
      3   0.103601D+02 -0.132224D+02  0.606069D+01 -0.258934D+01  0.905818D+01
                26            27            28            29            30 
      1   0.322566D+01 -0.116134D+01 -0.105099D+01  0.183843D+01  0.666488D+00
      2   0.883872D+01 -0.183295D+01  0.384621D+00  0.395005D+01  0.836321D+00
      3  -0.248737D+01 -0.141674D+01 -0.469432D+02  0.162340D+02 -0.237893D+01
                31            32            33            34            35 
      1   0.594148D+01  0.532344D+01  0.113446D+00  0.388434D+01  0.144599D+02
      2   0.437790D+01 -0.143708D+01  0.260817D+00 -0.145068D+02  0.160922D+01
      3   0.377599D+02 -0.116445D+02  0.674111D-01 -0.486308D+01 -0.137455D+01
                36            37            38            39            40 
      1  -0.313452D+01 -0.504217D+00  0.505732D+00  0.524273D+01  0.278014D+01
      2   0.245768D+00 -0.567233D+01  0.129311D+01  0.793524D+00 -0.315667D+01
      3  -0.385988D+01 -0.171275D+02  0.531813D+01 -0.150794D+01  0.108556D+02
                41            42            43            44            45 
      1  -0.561611D+00 -0.210042D+01  0.190487D+02  0.440750D+01 -0.143224D+01
      2  -0.366860D+01 -0.139643D+01 -0.733041D+01 -0.787696D+01  0.229980D+01
      3  -0.207001D+01 -0.113818D+01 -0.430585D+01 -0.521191D-02 -0.808623D+01
                46            47            48            49            50 
      1   0.509878D+00 -0.283850D+01 -0.474509D+01 -0.314432D+01 -0.349437D+00
      2   0.855901D+01 -0.781548D+01  0.243457D+01 -0.748895D+01  0.778983D+01
      3   0.373052D+02 -0.325641D+02  0.644212D+01 -0.105050D+02  0.281764D+02
                51            52            53            54            55 
      1  -0.246244D+01 -0.957097D+01 -0.557824D+01  0.400777D+01  0.987591D+00
      2  -0.154643D+01 -0.159428D+02 -0.728602D+00  0.213575D+01  0.747950D+01
      3  -0.469993D+01  0.523366D+01 -0.350168D+01  0.597868D+01  0.390781D+02
                56            57            58            59            60 
      1  -0.418468D+01 -0.314884D+01 -0.154326D+01  0.661736D+00 -0.148801D+01
      2  -0.965302D+01 -0.228263D+01 -0.737947D+01  0.690609D+01 -0.250351D+01
      3  -0.369126D+02  0.883958D+01 -0.883231D+01  0.359676D+02 -0.520512D+01
                61            62            63            64            65 
      1  -0.791431D+01 -0.355330D+01  0.202748D+01 -0.291371D+00 -0.527173D+00
      2  -0.221014D+02 -0.330864D+01  0.579376D+01  0.814221D+00  0.724439D+00
      3   0.688047D+01 -0.290556D+01  0.112597D+02  0.814474D+00 -0.806753D-01
                66            67            68            69            70 
      1  -0.132019D+01 -0.806320D+00 -0.162170D+01 -0.277921D+01 -0.618290D+00
      2   0.214488D+00  0.106443D+01 -0.532137D+00  0.177045D+01 -0.215186D+01
      3   0.131733D+00  0.291424D+01 -0.556122D+01  0.135942D+01 -0.100735D-01
                71            72            73            74            75 
      1   0.252193D+01  0.398819D+00 -0.383901D+00  0.326338D+00  0.240256D+01
      2  -0.103946D+01  0.839146D-01 -0.158174D+01  0.101187D+00  0.177231D+01
      3   0.141953D+01  0.424054D+00 -0.103109D+02  0.168693D+01 -0.208813D+00
                76            77            78            79            80 
      1  -0.131958D+01  0.366879D+00 -0.357982D+01 -0.313382D+01  0.100718D+01
      2  -0.418762D+00  0.351775D+00 -0.240961D+01 -0.192415D+01 -0.242755D+00
      3   0.399154D+01  0.621357D+00  0.803521D+00  0.399346D+00 -0.187571D+00
                81            82            83            84            85 
      1   0.679719D+00  0.670779D+00  0.383147D+00 -0.178657D+01  0.565655D+00
      2   0.878133D+00  0.124694D+01  0.723778D+00  0.619634D+00  0.930392D+00
      3   0.142103D+01  0.593014D+01  0.320572D+01 -0.130451D+01  0.497919D+01
                86            87            88            89            90 
      1   0.129617D+01 -0.509230D+01  0.108955D+01  0.215198D+01  0.670756D+00
      2   0.119000D+01  0.955203D+00 -0.940132D+00  0.499652D+00 -0.729544D+00
      3   0.393119D+01 -0.148031D+01 -0.114565D+01 -0.175979D+01 -0.378689D+00
                91            92            93            94            95 
      1   0.298247D+01  0.950680D+00 -0.155413D+01  0.663962D+01  0.309809D+00
      2  -0.503068D+01 -0.213850D+01 -0.608199D+01 -0.225235D+01 -0.107118D+02
      3   0.180511D+02 -0.762605D-01  0.233380D+01  0.271609D+02 -0.161991D+02
                96            97            98            99           100 
      1  -0.222166D+01 -0.206450D+01  0.565056D+01  0.106638D+01  0.422089D+01
      2  -0.133721D+01 -0.367507D+02  0.146410D+01  0.539095D+01 -0.104633D+02
      3   0.105721D+02 -0.351750D+00  0.145749D+02  0.778399D+01  0.658821D+01
               101           102           103           104           105 
      1  -0.675169D+01  0.806733D+00 -0.238702D+01  0.366821D+00 -0.124760D+02
      2  -0.101173D+01  0.169447D+02 -0.284150D+01  0.200252D+02  0.324542D+01
      3  -0.150717D+02 -0.561668D+00 -0.937391D+01  0.178350D+01 -0.170682D+02
               106           107           108           109           110 
      1   0.328429D+01 -0.648783D+01 -0.372986D+01 -0.514034D+01  0.174611D+01
      2   0.194996D+02 -0.467266D+00 -0.664398D+01  0.119965D+02  0.581929D+01
      3   0.791981D+01 -0.159782D+02 -0.542929D+01 -0.741175D+01  0.818932D+01
               111           112           113           114           115 
      1   0.101688D+02 -0.111511D+02 -0.737691D+01 -0.516481D+01  0.993287D+01
      2   0.345314D+01  0.631983D+01  0.527424D+01 -0.111909D+02  0.677893D+01
      3  -0.797114D+01  0.624946D+01  0.195336D+02 -0.391016D+01 -0.204387D+02
               116           117           118           119           120 
      1   0.199197D+01  0.534754D+01  0.147583D+01 -0.110133D+01  0.107691D+01
      2  -0.257663D+01  0.294785D+01  0.408656D+01 -0.145633D+01  0.569951D+01
      3  -0.984814D+01 -0.479992D+01  0.976032D+01 -0.727497D+01  0.115413D+00
               121           122           123           124           125 
      1  -0.126501D+01  0.188549D+01 -0.277961D+01  0.113262D+01 -0.291677D+00
      2  -0.185562D+01  0.540858D+01 -0.545299D+01  0.352377D+01 -0.414782D+01
      3  -0.939102D+00  0.188307D+02 -0.473892D+01 -0.960548D+00 -0.652226D+01
               126           127           128           129           130 
      1   0.708358D+00 -0.275127D+01  0.320736D+01 -0.850381D+00  0.130355D+01
      2   0.265990D+01 -0.435319D+01  0.380644D+01 -0.608293D+01  0.350375D+01
      3   0.274701D+01 -0.524523D+01  0.448153D+01 -0.206776D+01  0.362961D+01
               131           132           133           134           135 
      1  -0.901475D+01  0.359255D+01 -0.265343D+00  0.527313D+01 -0.304947D+01
      2  -0.103214D+02  0.994251D+01 -0.264649D+01  0.523345D+01 -0.912383D+01
      3  -0.136770D+02  0.920164D+01  0.449824D-02  0.598027D+01 -0.556228D+01
               136           137           138           139           140 
      1  -0.284329D+01 -0.264388D+01  0.749000D+00 -0.265136D+01 -0.107757D+01
      2   0.981735D+01  0.941630D+00  0.753459D+01  0.782180D+00 -0.748646D+00
      3  -0.874080D+01 -0.601882D+01  0.125860D+01 -0.458769D+01 -0.114823D+01
               141           142           143           144           145 
      1   0.496459D+00  0.222831D-02  0.143014D+01 -0.317562D+00  0.180248D+01
      2   0.933304D+00  0.138491D+01  0.102060D+01  0.599024D+00 -0.404778D+01
      3   0.249843D+01 -0.512954D+00  0.295666D+01 -0.129187D+01  0.311174D+01
               146           147           148           149           150 
      1   0.299972D+01  0.168324D+00  0.175272D+01  0.787861D+01  0.284848D+01
      2  -0.409042D+01 -0.661189D+01 -0.210597D+01 -0.129317D+02 -0.130995D+02
      3   0.447189D+01  0.256660D+01  0.334676D+01  0.144562D+02  0.109259D+02
               151           152           153           154           155 
      1  -0.502473D+00  0.516505D+01  0.280303D+01  0.459301D+01  0.197425D+00
      2  -0.342895D+01 -0.903979D+01 -0.139100D+02 -0.111916D+02 -0.176718D+01
      3  -0.816816D+00  0.800024D+01  0.840375D+01 -0.798716D+01 -0.211116D+02
               156           157           158           159           160 
      1  -0.700564D+01  0.731815D+01  0.474146D+01 -0.532703D+01 -0.413595D+01
      2   0.187262D+02 -0.136632D+01 -0.562156D+01  0.131564D+02  0.506355D+01
      3  -0.139052D+00 -0.191079D+02 -0.281060D+02  0.174802D+01  0.512856D+01
               161           162           163           164           165 
      1   0.783551D+00  0.262810D+01  0.646954D+01  0.353090D+01 -0.374141D+01
      2   0.411587D+01 -0.104532D+02 -0.134392D+02 -0.648069D+01  0.303563D+01
      3   0.674335D+01 -0.300419D+01 -0.104172D+02 -0.449473D+01  0.124975D+01
               166           167           168           169           170 
      1   0.967351D+01  0.577138D+01  0.320480D+00 -0.252782D+01  0.598134D+01
      2  -0.110482D+02  0.424238D+01  0.998668D+01 -0.477771D+00  0.519522D+01
      3  -0.253759D+01 -0.645693D+01 -0.101113D+02  0.718971D+01 -0.225092D+01
               171           172           173           174           175 
      1  -0.426063D+01 -0.855237D+01 -0.411402D+01  0.146260D+01 -0.108315D+02
      2   0.218733D+02  0.211489D+02  0.490676D+01 -0.758034D+01  0.108954D+02
      3  -0.458385D+01  0.253219D+01  0.298438D+01  0.291918D+01  0.107450D+02
               176           177           178           179           180 
      1  -0.457627D+01 -0.107614D+01  0.110607D+01  0.325954D+00 -0.130563D+01
      2   0.444099D+01 -0.528425D+01 -0.349524D+01 -0.126845D+01  0.665478D+01
      3   0.165186D+01  0.142798D+01  0.261538D+01  0.124900D+01  0.366644D+00
               181           182           183           184           185 
      1  -0.278388D-01  0.343470D+01  0.389979D+01  0.237449D+01  0.719448D+00
      2  -0.624873D+01  0.245604D+01  0.590204D+01 -0.455242D+01 -0.605403D+01
      3  -0.248189D+02  0.834680D+01 -0.240257D+01 -0.240111D+02 -0.797155D+01
               186           187           188           189           190 
      1  -0.235605D+01  0.116727D+02  0.503824D+01 -0.247677D+01 -0.139219D+01
      2  -0.114478D+01 -0.465288D+01 -0.107169D+02  0.235590D+01 -0.469143D+01
      3   0.411824D+01  0.781854D+01  0.389467D+01 -0.168704D+01  0.828207D+01
               191           192           193           194           195 
      1   0.299954D+01 -0.252017D+01  0.305566D+01  0.151139D+01  0.210298D+01
      2   0.547019D+01 -0.316300D+01  0.128844D+02 -0.281530D+01 -0.485852D+00
      3   0.184967D+02 -0.400892D+01  0.478380D+02 -0.110739D+02  0.848860D+00
               196           197           198           199           200 
      1  -0.701297D+00  0.152895D+02 -0.414913D+01 -0.194795D+00 -0.300995D+01
      2  -0.140415D+01  0.295044D+01 -0.388386D+00 -0.114666D+01 -0.736168D+01
      3  -0.124251D+02  0.109976D+01  0.511139D+01 -0.310500D+02 -0.293089D+02
               201           202           203           204           205 
      1   0.110329D+01 -0.289072D+01  0.208029D+01 -0.294660D+01 -0.828880D+01
      2   0.514592D+01 -0.572334D+01  0.933173D+01  0.457224D+00 -0.149096D+02
      3   0.748820D+01  0.715368D+01  0.119663D+02 -0.593786D+01  0.435129D+01
               206           207           208           209           210 
      1   0.312176D+01  0.575255D+00  0.142219D+01 -0.273409D+01  0.331728D+01
      2   0.168942D+02 -0.649144D+01  0.248172D+01 -0.763155D+01  0.156881D+02
      3  -0.797038D+01 -0.674967D+01  0.189960D+01 -0.434554D+02  0.671540D+01
               211           212           213           214           215 
      1   0.406516D+00 -0.193536D+01 -0.480684D+01  0.172359D+01 -0.185371D+01
      2  -0.284332D+01 -0.248947D+01 -0.534627D+01 -0.527478D+01  0.342778D+01
      3  -0.551828D+01 -0.447879D+01  0.229504D+01  0.233346D+01  0.261746D+01
               216           217           218           219           220 
      1   0.134651D+01  0.509144D+00  0.117774D+01 -0.859384D+00 -0.137637D+01
      2  -0.815412D+00  0.728256D+01  0.399465D+01 -0.100951D+01  0.474293D+01
      3  -0.435027D+01  0.356862D+02  0.400192D+01 -0.543478D+01  0.246789D+02
               221           222           223           224           225 
      1   0.257406D+01  0.634306D+01 -0.133744D+02  0.965437D+01 -0.434941D+01
      2   0.875464D+01  0.331431D+02 -0.195970D+02  0.268495D+02 -0.214369D+02
      3  -0.335099D+02 -0.102519D+02 -0.516544D+01 -0.780524D+01 -0.264503D+02
               226           227           228           229           230 
      1   0.122116D+00 -0.269434D+00 -0.145782D+01  0.589186D-02 -0.842577D+00
      2   0.204715D+01  0.178639D+01 -0.241051D+00  0.140045D+01  0.440854D+01
      3   0.779199D+01  0.580965D+01 -0.190340D+01  0.536138D+01  0.172115D+02
               231           232           233           234           235 
      1  -0.396585D+01  0.711372D+00  0.293278D+01  0.303608D+00 -0.931558D+00
      2  -0.129130D+01 -0.313666D+00 -0.115293D+01  0.150501D+00 -0.212670D+01
      3  -0.440678D+01 -0.204120D+01 -0.471900D+01  0.660200D+00 -0.438893D+01
               236           237           238           239           240 
      1   0.681013D+00  0.147804D+01 -0.264920D+00 -0.620771D+00 -0.268878D+01
      2  -0.121814D+00  0.143453D+01 -0.118177D+01  0.169136D+01 -0.306547D+01
      3  -0.395971D+01  0.931045D+00 -0.472837D+01  0.130004D+02 -0.168985D+01
               241           242           243           244           245 
      1  -0.255817D+01  0.123206D+01  0.517181D+00  0.124555D+00 -0.131523D+00
      2  -0.214748D+01 -0.324360D+00  0.119292D+01 -0.136689D+01 -0.101165D+01
      3   0.236680D+01 -0.263306D+01  0.170032D+01 -0.410110D+01 -0.385176D+01
               246           247           248           249           250 
      1  -0.147940D+01  0.199879D+00 -0.372708D+00 -0.343542D+01 -0.120637D-02
      2   0.201416D+01 -0.148539D+01 -0.403492D+01  0.434749D+01 -0.125783D+01
      3   0.861269D+00 -0.279796D+01 -0.171221D+02  0.379043D+01  0.134724D+01
               251           252           253           254           255 
      1   0.169635D+01  0.586669D+00  0.425290D+00 -0.264370D+00 -0.117389D+01
      2   0.732265D+00 -0.991151D+00 -0.591943D+01 -0.432411D+00 -0.215419D+01
      3   0.436507D+01 -0.712357D+00  0.241588D+01  0.299257D+01  0.120410D+01
               256           257           258           259           260 
      1   0.155864D+01 -0.180025D+01 -0.473561D+01  0.301929D+01 -0.134714D+01
      2   0.557510D+01 -0.143783D+02 -0.157981D+02  0.909068D+01 -0.167372D+02
      3  -0.137440D+02  0.347696D+02  0.157983D+02 -0.738797D+01  0.192519D+02
               261           262           263           264           265 
      1  -0.459946D+01  0.170368D+00 -0.211788D+00 -0.422784D+00 -0.885921D+00
      2  -0.164152D+02  0.824534D+01 -0.168669D+01  0.410618D+00 -0.619864D+01
      3   0.169999D+02  0.164208D+00  0.100265D+01  0.788983D+00 -0.825624D+01
               266           267           268           269           270 
      1   0.119224D+01 -0.313825D+01  0.479071D+01 -0.296050D+00  0.788309D+01
      2   0.878690D+01 -0.133904D+02  0.172554D+02 -0.167188D+02  0.388812D+02
      3   0.144810D+02 -0.913188D+01  0.819508D+01 -0.134736D+02  0.163933D+02
               271           272           273           274           275 
      1  -0.105820D+01 -0.426676D+00  0.483256D+00 -0.170446D+00 -0.517831D+00
      2  -0.670833D+01 -0.769590D+00  0.929872D+01 -0.177958D+01 -0.210927D+01
      3  -0.217020D+02 -0.104329D+02  0.182396D+01 -0.120884D+02 -0.790432D+01
               276           277           278           279 
      1  -0.684468D+00  0.189494D+01  0.133005D+00  0.248835D-01
      2   0.224428D+01  0.883383D+01 -0.869330D+00 -0.137799D+01
      3   0.252746D+01  0.235786D+01  0.312448D+01  0.160664D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.929730D+02  0.522642D+02 -0.814653D+01 -0.784185D+02 -0.102190D+01
      2   0.492023D+02 -0.322793D+02  0.487865D+01  0.444138D+02  0.181615D+01
      3   0.437707D+02 -0.199849D+02  0.326788D+01  0.340047D+02 -0.794250D+00
      4   0.553020D+02 -0.666123D+01 -0.730063D+00 -0.634112D+01 -0.215900D+01
      5  -0.179716D+02  0.132000D+01  0.180083D+01 -0.258724D+01  0.238205D+01
      6   0.256647D+01  0.460101D+00 -0.109290D+00  0.183112D+01 -0.252606D+01
                 6             7             8             9            10 
      1   0.222593D+01  0.247430D+02 -0.579477D+01 -0.103208D+02  0.109343D+03
      2  -0.349503D+01 -0.122505D+02  0.231912D+01 -0.951617D+00 -0.531764D+02
      3   0.126910D+01 -0.124925D+02  0.347565D+01  0.112724D+02 -0.561667D+02
      4   0.131712D+01 -0.217822D+01  0.914164D+00  0.767874D+00 -0.342583D+02
      5   0.368573D+00  0.100924D+01 -0.166527D+01  0.462804D+00  0.105686D+02
      6   0.900447D+00  0.157711D+01  0.282961D+01  0.248220D+01 -0.612517D+01
                11            12            13            14            15 
      1  -0.204064D+02 -0.269864D+01  0.755968D+02 -0.286818D+02  0.882110D+00
      2   0.122815D+02  0.469172D+00 -0.347792D+02  0.244574D+02 -0.466235D+01
      3   0.812495D+01  0.222947D+01 -0.408176D+02  0.422441D+01  0.378024D+01
      4   0.559074D+01 -0.127441D+01 -0.136440D+02  0.142957D+02 -0.222897D+01
      5  -0.600083D+01 -0.588181D+01  0.777052D+01 -0.279358D+01  0.676630D+00
      6   0.146555D+01  0.132988D+01 -0.312745D+01 -0.303025D+01  0.663154D+00
                16            17            18            19            20 
      1  -0.259739D+02  0.652200D+01 -0.847414D+01  0.634403D+02 -0.589075D+02
      2   0.127275D+02 -0.578387D+01 -0.444428D+00 -0.339800D+02  0.425966D+02
      3   0.132464D+02 -0.738129D+00  0.891857D+01 -0.294603D+02  0.163109D+02
      4   0.639767D+01 -0.265013D+01  0.280228D+01 -0.542754D+02  0.555840D+01
      5  -0.213268D+01  0.313819D+01  0.907057D+00  0.201550D+02 -0.189684D+01
      6   0.417087D+01  0.450536D+01  0.207476D+01 -0.316526D+01 -0.132791D+01
                21            22            23            24            25 
      1   0.101743D+02 -0.231939D+00  0.377609D+02 -0.863883D+01 -0.434487D+01
      2  -0.746853D+01 -0.127450D+02 -0.368713D+02  0.910343D+01  0.679393D+01
      3  -0.270573D+01  0.129769D+02 -0.889603D+00 -0.464598D+00 -0.244905D+01
      4  -0.538433D+00  0.268079D+02 -0.639152D+01  0.479458D+01 -0.550526D+01
      5  -0.539108D+01 -0.105030D+02  0.671576D+01  0.732873D+01  0.415828D+01
      6   0.138993D+01  0.997118D+01  0.916835D+01  0.816467D+00  0.146499D+01
                26            27            28            29            30 
      1  -0.522315D+01 -0.669353D+01 -0.153008D+01  0.933311D+01  0.150385D+01
      2   0.891076D+01 -0.823875D+01 -0.170797D+02 -0.105154D+02  0.343659D+00
      3  -0.368760D+01  0.149323D+02  0.186098D+02  0.118228D+01 -0.184751D+01
      4   0.648246D+01  0.244445D+01  0.256393D+02  0.116660D+02  0.671948D+00
      5   0.947417D+01 -0.299507D+01 -0.216801D+02  0.352939D+01  0.110797D+02
      6   0.371457D+01  0.813615D+00  0.128487D+02 -0.280189D+00 -0.235341D+01
                31            32            33            34            35 
      1   0.281954D+02 -0.746917D+02  0.137137D+02 -0.957858D+01  0.165731D+02
      2  -0.198861D+02  0.691135D+02 -0.172790D+02  0.425794D+01 -0.167867D+02
      3  -0.830930D+01  0.557827D+01  0.356524D+01  0.532064D+01  0.213621D+00
      4  -0.417241D+02  0.538919D+01  0.196333D+01  0.216219D+02  0.807628D+00
      5   0.154656D+02  0.599642D+00 -0.140607D+01  0.336096D+02 -0.569005D+01
      6   0.146792D+01 -0.100203D+02  0.506397D+00 -0.614136D+01  0.706456D+01
                36            37            38            39            40 
      1  -0.292845D+01 -0.362841D+01  0.713529D+02 -0.174472D+02 -0.177656D+02
      2  -0.528574D+01  0.164152D+00 -0.599586D+02  0.109866D+02  0.223323D+02
      3   0.821420D+01  0.346426D+01 -0.113943D+02  0.646060D+01 -0.456675D+01
      4   0.287196D+01  0.116728D+01 -0.250285D+02  0.466494D+01  0.100446D+02
      5  -0.955471D+00  0.821433D+00  0.532435D+00  0.322504D+01  0.700134D+01
      6   0.549882D+01 -0.346408D+01  0.731376D+01 -0.111802D+02 -0.148748D+02
                41            42            43            44            45 
      1   0.334665D+02 -0.117380D+02  0.698010D+01 -0.168822D+02 -0.101708D+02
      2  -0.349192D+02  0.106227D+02 -0.144508D+02  0.193482D+02  0.152100D+01
      3   0.145274D+01  0.111530D+01  0.747065D+01 -0.246600D+01  0.864977D+01
      4   0.736961D+01 -0.789512D+01  0.495624D+01 -0.578621D+01 -0.924210D+01
      5  -0.889139D+01 -0.583608D+01  0.214059D+02 -0.724210D+01  0.532977D+01
      6   0.111334D+02  0.238372D+01 -0.198447D+02  0.125417D+02  0.349721D+00
                46            47            48            49            50 
      1   0.184969D+01 -0.473843D+02  0.954824D+01  0.274683D+02 -0.592199D+01
      2  -0.381772D+01  0.422931D+02 -0.489269D+01 -0.225892D+02 -0.203622D+01
      3   0.196803D+01  0.509127D+01 -0.465555D+01 -0.487911D+01  0.795821D+01
      4   0.141494D+02 -0.276764D+01  0.115051D+01 -0.461182D+01 -0.112405D+02
      5  -0.214049D+01  0.520957D+01 -0.141537D+01  0.117990D+01  0.299253D+01
      6   0.436912D+01 -0.205842D+01  0.830944D+01  0.457162D+01  0.136047D+02
                51            52            53            54            55 
      1  -0.667834D+01 -0.675219D+01 -0.263930D+01 -0.239007D+02  0.113279D+02
      2   0.897993D+01  0.846389D+01  0.139907D+02  0.109509D+02 -0.821575D+01
      3  -0.230159D+01 -0.171171D+01 -0.113514D+02  0.129498D+02 -0.311214D+01
      4   0.575881D+01  0.266008D+01  0.764017D+01  0.652689D+01 -0.381071D+02
      5   0.118574D+00  0.373410D+01  0.128636D+01 -0.856649D+00  0.756183D+01
      6   0.304467D+01  0.338408D+01  0.230344D+02 -0.836726D+01  0.275732D+01
                56            57            58            59            60 
      1  -0.530041D+02  0.103814D+02  0.458094D+00  0.233412D+02 -0.111426D+02
      2   0.337880D+02 -0.359843D+01 -0.559464D+01 -0.183164D+02  0.949520D+01
      3   0.192161D+02 -0.678295D+01  0.513655D+01 -0.502489D+01  0.164741D+01
      4  -0.276683D+02  0.667194D+01  0.320919D+02 -0.182208D+02  0.454963D+00
      5   0.746219D+01 -0.113225D+02 -0.852023D+01  0.103243D+01 -0.727936D+00
      6  -0.714645D+00  0.643337D+01  0.346877D+01  0.105962D+02  0.176790D+01
                61            62            63            64            65 
      1  -0.181153D+01 -0.792747D+01 -0.203984D+02  0.263370D+01 -0.957705D+00
      2   0.338415D+01  0.152326D+02  0.402210D+01 -0.644056D+00  0.170838D+01
      3  -0.157262D+01 -0.730517D+01  0.163763D+02 -0.198964D+01 -0.750679D+00
      4  -0.572811D+01  0.283422D+01 -0.911105D+01  0.703660D+01  0.904753D+01
      5   0.114516D+01 -0.115296D+02  0.830215D+01 -0.222631D+01 -0.233115D+01
      6   0.734838D+00  0.167641D+02 -0.574024D+01 -0.149385D+01 -0.125258D+01
                66            67            68            69            70 
      1   0.239617D+00 -0.436363D+01 -0.164152D+02  0.445663D+01  0.549516D+00
      2   0.199006D+00  0.563305D+01  0.178064D+02 -0.210950D+01 -0.469711D-01
      3  -0.438623D+00 -0.126942D+01 -0.139120D+01 -0.234713D+01 -0.502545D+00
      4  -0.178618D+01  0.120021D+02  0.168745D+02 -0.375017D+01 -0.315762D+01
      5   0.254127D+01 -0.352294D+01 -0.392457D+01  0.357129D+01  0.174937D+01
      6   0.110594D+01 -0.304158D+01 -0.688416D+01  0.517850D+01  0.208878D+01
                71            72            73            74            75 
      1   0.303680D+01 -0.350068D+01  0.206865D+01  0.569084D+01 -0.109711D+01
      2  -0.255213D+01  0.274609D+01  0.103404D+02 -0.162701D+02  0.200295D+01
      3  -0.484670D+00  0.754589D+00 -0.124091D+02  0.105792D+02 -0.905837D+00
      4  -0.437984D+01  0.233871D+01 -0.290813D+02  0.256077D+02 -0.394931D+01
      5   0.600745D+00 -0.154004D+01  0.424704D+01 -0.407700D+01  0.392935D+01
      6   0.329735D+01 -0.266404D+01 -0.277110D+01  0.320519D+01 -0.348907D+01
                76            77            78            79            80 
      1   0.109165D+02 -0.226207D+02  0.391390D+01 -0.279242D+01  0.455658D+01
      2  -0.231677D+02  0.395104D+02 -0.495549D+01  0.568455D+01 -0.681122D+01
      3   0.122512D+02 -0.168897D+02  0.104160D+01 -0.289213D+01  0.225464D+01
      4   0.283990D+02 -0.357390D+02  0.571670D+01 -0.532041D+01  0.619574D+01
      5  -0.541558D+01  0.588722D+01 -0.424438D+01  0.830845D+00 -0.314877D+01
      6   0.615793D+01 -0.731676D+01  0.670875D+01  0.405328D+00  0.418547D+01
                81            82            83            84            85 
      1  -0.140884D+01 -0.711500D+01 -0.113036D+02  0.318261D+01 -0.832805D+01
      2   0.250363D+01  0.998282D+01  0.166613D+02 -0.338522D+01  0.111534D+02
      3  -0.109479D+01 -0.286782D+01 -0.535774D+01  0.202616D+00 -0.282535D+01
      4  -0.330258D+01  0.853809D+01  0.171771D+02 -0.381831D+01  0.925611D+01
      5   0.178392D+01 -0.142620D+01 -0.258327D+01  0.278180D+01 -0.164338D+01
      6  -0.260956D+01 -0.311062D+01 -0.495972D+01  0.346610D+01 -0.314412D+01
                86            87            88            89            90 
      1  -0.511303D+02  0.123091D+02  0.220565D+01  0.130211D+02 -0.467563D+01
      2   0.693711D+02 -0.134752D+02 -0.320241D+01 -0.159312D+02  0.496866D+01
      3  -0.182408D+02  0.116609D+01  0.996763D+00  0.291007D+01 -0.293024D+00
      4   0.230130D+02 -0.486132D+01 -0.328561D+01 -0.534041D+01  0.288343D+01
      5  -0.239769D+01  0.194332D+01  0.681868D+00  0.266334D+01 -0.146652D+01
      6  -0.177069D+02  0.111742D+02  0.725354D+00  0.740044D+01 -0.442792D+01
                91            92            93            94            95 
      1  -0.389024D+01  0.443459D+01 -0.147564D+02 -0.211546D+01 -0.784575D+01
      2   0.860981D+01  0.453188D+00  0.933814D+00  0.849728D+01 -0.393777D+01
      3  -0.471957D+01 -0.488778D+01  0.138226D+02 -0.638183D+01  0.117835D+02
      4  -0.919619D+01 -0.182080D+02 -0.322550D+01 -0.242354D+02  0.317790D+02
      5   0.180557D+01 -0.477464D+01 -0.197970D+02  0.454568D+00 -0.171629D+02
      6  -0.547536D+01  0.797840D+00  0.859240D+00 -0.552082D+01  0.405578D+01
                96            97            98            99           100 
      1  -0.178776D+01 -0.132449D+01 -0.285257D+01 -0.191892D+02 -0.800441D+02
      2   0.187979D+01 -0.160489D+02  0.798159D+01  0.186885D+02  0.473118D+02
      3  -0.920394D-01  0.173734D+02 -0.512902D+01  0.500696D+00  0.327323D+02
      4  -0.198451D+02 -0.847483D+01 -0.217396D+02 -0.384733D+01  0.291852D+01
      5  -0.331351D+01 -0.658534D+02  0.388166D+01  0.183935D+02  0.449142D+02
      6   0.355055D+01  0.238184D+01 -0.178080D+01 -0.182466D+01 -0.230860D+00
               101           102           103           104           105 
      1  -0.906607D+00  0.309286D+02 -0.829007D+01  0.339066D+02  0.674458D+01
      2   0.203499D+00 -0.986737D+01  0.180896D+01 -0.734154D+01 -0.226171D+01
      3   0.703107D+00 -0.210612D+02  0.648111D+01 -0.265651D+02 -0.448287D+01
      4   0.205186D+02  0.961282D+00  0.199610D+02 -0.324267D+01  0.260015D+02
      5   0.266941D+01  0.773845D+01  0.501509D+01  0.170925D+02  0.384236D+01
      6  -0.123341D+02 -0.129196D+01 -0.645630D+01 -0.241729D+01 -0.210612D+02
               106           107           108           109           110 
      1   0.595906D+01  0.490460D+01  0.173802D+02 -0.641633D+02 -0.256167D+02
      2   0.162602D+02 -0.411792D+01 -0.226583D+02  0.212101D+02  0.245624D+01
      3  -0.222193D+02 -0.786675D+00  0.527812D+01  0.429532D+02  0.231604D+02
      4  -0.356212D+00  0.213796D+02  0.178759D+01 -0.470250D+02 -0.290181D+02
      5   0.413820D+02 -0.146335D+01 -0.305006D+02  0.868269D+01  0.501831D+00
      6  -0.286938D+01 -0.148478D+02 -0.418667D+01  0.754478D+00  0.368151D+01
               111           112           113           114           115 
      1   0.455472D+01 -0.353409D+02 -0.163265D+02  0.113868D+02  0.401110D+02
      2  -0.367637D+01  0.719997D+01  0.243425D+01 -0.902562D-01 -0.155480D+02
      3  -0.878350D+00  0.281410D+02  0.138923D+02 -0.112966D+02 -0.245630D+02
      4   0.344469D+01 -0.168659D+02 -0.270561D+02  0.121687D+02  0.274314D+02
      5  -0.950971D+00  0.225240D+00  0.879731D+01 -0.737148D+01  0.222178D+02
      6  -0.423380D+01  0.511690D+01 -0.172321D+01 -0.137625D+01  0.455842D+01
               116           117           118           119           120 
      1   0.101622D+02  0.224106D+02  0.146467D+02 -0.122806D+02  0.643892D+01
      2  -0.147331D+01 -0.201210D+01 -0.135800D+01  0.229145D+01 -0.156888D+01
      3  -0.868886D+01 -0.203985D+02 -0.132887D+02  0.998916D+01 -0.487005D+01
      4   0.213687D+02  0.609440D+01 -0.247981D+02  0.233955D+02 -0.225400D+01
      5   0.267530D+01  0.245309D+00  0.815715D+01 -0.182941D+01  0.112765D+02
      6  -0.977250D+00 -0.206929D+01 -0.227709D+01  0.129795D+01 -0.101183D+01
               121           122           123           124           125 
      1  -0.196218D+02  0.383930D+01 -0.147072D+01  0.884214D+01  0.130161D+00
      2   0.512802D+01  0.120667D+02 -0.265543D+01 -0.321623D+01 -0.352728D+01
      3   0.144937D+02 -0.159060D+02  0.412616D+01 -0.562591D+01  0.339712D+01
      4   0.236716D+02 -0.450145D+02  0.101576D+02 -0.445071D+01  0.144118D+02
      5  -0.284542D+01  0.926218D+01 -0.108241D+02  0.138387D+02 -0.937351D+01
      6   0.120399D+01 -0.360832D+01  0.413615D+01 -0.277640D+01  0.615823D+01
               126           127           128           129           130 
      1   0.418122D+01 -0.160419D+01  0.793662D+01 -0.112109D+02  0.106768D+02
      2  -0.192435D+01  0.358581D+00 -0.314582D+01 -0.275742D-01 -0.668510D+01
      3  -0.225686D+01  0.124561D+01 -0.479080D+01  0.112385D+02 -0.399167D+01
      4  -0.996590D+01  0.399509D+01 -0.614308D+01  0.244510D+01 -0.120677D+00
      5   0.584964D+01 -0.674838D+00 -0.475300D+00 -0.584391D+01 -0.828491D+01
      6  -0.316492D+01 -0.369076D+01  0.574082D+01 -0.280520D+01  0.120071D+01
               131           132           133           134           135 
      1  -0.172358D+02  0.111043D+02 -0.474928D+01  0.683474D+01 -0.145743D+02
      2   0.562801D+01  0.313831D+01  0.115092D+01  0.174804D+01 -0.183570D+01
      3   0.116077D+02 -0.142426D+02  0.359836D+01 -0.858279D+01  0.164100D+02
      4   0.225099D+02 -0.150348D+02 -0.328264D+00 -0.105354D+02  0.892410D+01
      5  -0.107221D+02  0.162189D+02  0.169784D+01  0.667492D+01 -0.106818D+02
      6  -0.167541D+02  0.136586D+02 -0.638268D-01  0.109162D+02 -0.825500D+01
               136           137           138           139           140 
      1   0.115702D+03 -0.131090D+01 -0.217014D+02  0.251355D+01  0.615063D+01
      2  -0.706422D+02  0.673215D+00  0.199380D+02 -0.256241D+01 -0.444538D+01
      3  -0.450595D+02  0.637690D+00  0.176336D+01  0.488531D-01 -0.170525D+01
      4  -0.560691D+01  0.109759D+02  0.249899D+01  0.146389D+02  0.150965D+00
      5  -0.686758D+02  0.203080D+01  0.312118D+02 -0.230149D+01 -0.705220D+01
      6   0.317950D+01 -0.381645D+01 -0.177146D+01 -0.446931D+01 -0.433529D-01
               141           142           143           144           145 
      1  -0.896756D+00 -0.838062D+01 -0.141205D+01  0.923414D+01  0.837759D+00
      2   0.138582D+01  0.927173D+01  0.544512D+00 -0.754216D+01 -0.135678D+01
      3  -0.489059D+00 -0.891111D+00  0.867536D+00 -0.169199D+01  0.519019D+00
      4  -0.578733D+01 -0.802369D+00 -0.365206D+01  0.360159D+00 -0.358056D+01
      5   0.186473D+01  0.186203D+02  0.109033D+01 -0.854941D+01 -0.407692D+01
      6   0.433160D+01 -0.536860D-01  0.283137D+01  0.450107D+00  0.408909D+01
               146           147           148           149           150 
      1  -0.954492D+01 -0.136684D+02 -0.772709D+01 -0.209263D+02 -0.161183D+02
      2   0.382220D+01  0.204352D+01  0.545138D+01  0.965314D+01  0.184446D+00
      3   0.572272D+01  0.116249D+02  0.227572D+01  0.112732D+02  0.159339D+02
      4  -0.459793D+01 -0.254392D+01  0.363250D+01 -0.260740D+02 -0.210759D+02
      5  -0.126476D+00 -0.437602D+01  0.844460D+01 -0.166944D+02 -0.215937D+02
      6   0.656290D+01  0.505762D+01 -0.627233D+00  0.223922D+02  0.205240D+02
               151           152           153           154           155 
      1  -0.470289D+01 -0.116439D+02 -0.205857D+02  0.147176D+03  0.387571D+02
      2   0.218815D+01 -0.255626D+00 -0.213077D+01 -0.613981D+02 -0.925930D+01
      3   0.251474D+01  0.118996D+02  0.227165D+02 -0.857776D+02 -0.294978D+02
      4   0.289376D+01 -0.146330D+02 -0.148492D+02  0.726247D+02  0.483468D+02
      5   0.390966D+01 -0.129688D+02 -0.196685D+02  0.263732D+01  0.371357D+01
      6  -0.354182D+00  0.155423D+02  0.165169D+02 -0.164086D+01 -0.648055D+00
               156           157           158           159           160 
      1  -0.926277D+01  0.499422D+02  0.317317D+02 -0.523464D+01 -0.128164D+02
      2   0.145927D+01 -0.729749D+01  0.508299D+01 -0.150924D+01  0.250696D+01
      3   0.780351D+01 -0.426447D+02 -0.368147D+02  0.674387D+01  0.103095D+02
      4  -0.437261D+00  0.697282D+02  0.633825D+02 -0.839648D+01 -0.104333D+02
      5   0.291162D+02 -0.155730D+01 -0.345277D+01  0.178220D+02  0.282267D+02
      6   0.739246D+01  0.922156D+00  0.783132D+00  0.854940D+01  0.882460D+01
               161           162           163           164           165 
      1  -0.443272D+01  0.151298D+02  0.406245D+02  0.165701D+02  0.923783D+01
      2  -0.197936D+01 -0.769148D+01 -0.241670D+02 -0.559416D+01 -0.836934D+01
      3   0.641207D+01 -0.743831D+01 -0.164574D+02 -0.109760D+02 -0.868494D+00
      4  -0.141615D+02  0.138716D+02  0.338931D+02  0.154725D+02  0.260906D+01
      5   0.123856D+02 -0.127402D+02  0.235952D+02  0.356287D+01  0.176659D+02
      6   0.719322D+01 -0.269102D+01  0.121458D+02  0.200238D+01  0.102947D+01
               166           167           168           169           170 
      1   0.214226D+02 -0.372291D+01 -0.123662D+02 -0.125648D+02 -0.952089D+01
      2  -0.101361D+02  0.371647D+01  0.292882D+01  0.612796D+00  0.211387D+01
      3  -0.112865D+02  0.644918D-02  0.943740D+01  0.119520D+02  0.740701D+01
      4   0.205891D+02  0.115509D+02  0.114736D+02 -0.829960D+01  0.732491D+00
      5   0.126361D+02  0.131523D+02  0.140619D+02  0.151350D+02  0.650748D+01
      6   0.466665D+01  0.931063D+01  0.134877D+02  0.447899D+00  0.103177D+02
               171           172           173           174           175 
      1  -0.274468D+02 -0.389381D+02 -0.938050D+01  0.112296D+02 -0.213792D+02
      2  -0.142477D+02  0.192268D+02  0.337359D+01  0.259639D+01  0.126642D+02
      3   0.416945D+02  0.197114D+02  0.600692D+01 -0.138260D+02  0.871501D+01
      4   0.408677D+01 -0.268155D+02 -0.112489D+02 -0.186328D+01 -0.189332D+02
      5   0.439861D+02 -0.165389D+02 -0.546097D+01 -0.135013D+02 -0.123338D+02
      6   0.128655D+02 -0.864396D+01 -0.500681D+01 -0.402362D+01 -0.580350D+01
               176           177           178           179           180 
      1  -0.108871D+02  0.397415D+01  0.198105D+01  0.903159D+00 -0.114176D+02
      2   0.510875D+01  0.348702D+01  0.450052D+01  0.684506D+00  0.166782D+01
      3   0.577832D+01 -0.746117D+01 -0.648157D+01 -0.158767D+01  0.974979D+01
      4  -0.708122D+01  0.615538D+00 -0.583525D+01 -0.452105D+00 -0.479131D+01
      5  -0.443803D+00 -0.105664D+02 -0.593445D+01 -0.190603D+01  0.370914D+01
      6  -0.303015D+01  0.100927D+01 -0.295660D+01  0.153613D+01 -0.151469D+01
               181           182           183           184           185 
      1  -0.545171D+01  0.575186D+02 -0.128312D+02 -0.820979D+02  0.293000D+02
      2   0.118645D+01 -0.378861D+02  0.458110D+01  0.513806D+02 -0.227247D+02
      3   0.426527D+01 -0.196326D+02  0.825007D+01  0.307173D+02 -0.657537D+01
      4   0.311511D+02  0.343186D+02 -0.895970D+01  0.313197D+02  0.206186D+02
      5  -0.390080D+01 -0.108544D+02  0.159773D+02  0.121177D+00 -0.127326D+02
      6  -0.251432D+01  0.533777D+01 -0.870712D+01 -0.101874D+02  0.836563D+01
               186           187           188           189           190 
      1  -0.309017D+01  0.225867D+02 -0.125034D+02  0.211767D+01  0.122451D+03
      2   0.368015D+01 -0.226411D+02  0.128767D+02 -0.746262D+01 -0.682228D+02
      3  -0.589978D+00  0.544073D-01 -0.373378D+00  0.534495D+01 -0.542278D+02
      4  -0.129980D+02 -0.537021D+01 -0.156258D+02 -0.134683D+02 -0.210485D+02
      5  -0.382740D+01  0.276611D+02 -0.150169D+02  0.890738D+01  0.909434D+01
      6   0.350517D+01 -0.142816D+02  0.917791D+01  0.103608D+01  0.100068D+01
               191           192           193           194           195 
      1  -0.404346D+02  0.391247D+01  0.559650D+01 -0.189578D+02  0.108738D+02
      2   0.266141D+02 -0.289939D+01 -0.682999D+01  0.207235D+02 -0.117702D+02
      3   0.138205D+02 -0.101309D+01  0.123349D+01 -0.176570D+01  0.896434D+00
      4   0.298100D+02 -0.654475D+01 -0.176870D+02 -0.583618D+02  0.144704D+02
      5  -0.774414D+01 -0.157674D+00  0.156935D+02  0.141325D+02 -0.453215D+01
      6  -0.318961D+00  0.380270D+01  0.561358D+01 -0.816909D+01  0.158262D+00
               196           197           198           199           200 
      1  -0.247110D+01  0.128334D+02  0.240397D+02 -0.115212D+03  0.246630D+02
      2   0.269795D+01 -0.110570D+02 -0.211631D+02  0.563080D+02 -0.132644D+02
      3  -0.226854D+00 -0.177642D+01 -0.287661D+01  0.589042D+02 -0.113986D+02
      4   0.182222D+02  0.919242D+01 -0.657947D+01  0.302375D+02 -0.341861D+02
      5   0.484088D+02 -0.126708D+02  0.184338D+01 -0.735759D+01  0.138984D+02
      6  -0.159073D+01  0.554545D+01  0.394577D+01  0.653568D+01 -0.561554D+00
               201           202           203           204           205 
      1   0.311222D+00  0.932906D+02 -0.173328D+02 -0.430846D+01 -0.156173D+02
      2   0.152842D+00 -0.580351D+02  0.146123D+01  0.533726D+01  0.131928D+02
      3  -0.464065D+00 -0.352555D+02  0.158716D+02 -0.102880D+01  0.242458D+01
      4   0.996460D+01 -0.166346D+02  0.276210D+02  0.274533D+01  0.559320D+01
      5   0.195404D+01  0.459375D+01  0.182397D+01  0.555123D+01  0.554354D+01
      6  -0.101932D+00  0.556740D+01  0.107454D+02  0.188902D+01  0.372060D+01
               206           207           208           209           210 
      1   0.132792D+01 -0.141751D+02  0.161732D+02  0.322096D+02 -0.588523D+01
      2   0.734624D+01 -0.882913D+00 -0.112256D+02 -0.203000D+02  0.288611D+01
      3  -0.867416D+01  0.150580D+02 -0.494764D+01 -0.119096D+02  0.299912D+01
      4   0.967100D+01  0.238675D+02  0.255524D+02  0.323621D+01  0.453568D+01
      5   0.248754D+02 -0.131985D+02 -0.777366D+01  0.521387D+01  0.270027D+02
      6   0.121455D+02 -0.176818D+01  0.141215D+01 -0.904474D+00 -0.539932D+01
               211           212           213           214           215 
      1   0.240064D+00  0.138790D+02 -0.437002D+01  0.353080D+00 -0.467824D+01
      2   0.264504D+01 -0.547456D+01  0.538171D+01  0.140367D+01  0.392006D+01
      3  -0.288510D+01 -0.840447D+01 -0.101169D+01 -0.175675D+01  0.758180D+00
      4   0.396156D+02  0.104828D+02 -0.522428D+01 -0.811579D+01  0.532366D+00
      5  -0.860975D+01 -0.411001D+01 -0.999579D+01  0.124986D+02  0.561265D+01
      6  -0.138138D+01  0.204378D+01  0.785129D+01  0.302072D+01  0.273897D+01
               216           217           218           219           220 
      1   0.223508D+01 -0.643663D+02 -0.454212D+02  0.150895D+02 -0.436182D+02
      2  -0.287736D+01  0.394313D+02  0.226096D+02 -0.772963D+01  0.219778D+02
      3   0.642274D+00  0.249350D+02  0.228116D+02 -0.735990D+01  0.216404D+02
      4   0.767891D+01 -0.437131D+02  0.152667D+02  0.162374D+01 -0.244828D+02
      5  -0.299014D+01  0.146928D+02  0.182430D+01 -0.560906D+01  0.746750D+01
      6  -0.252003D+01 -0.130481D+01 -0.937520D+00  0.174100D+01  0.301980D+01
               221           222           223           224           225 
      1   0.511760D+01  0.103373D+02  0.121381D+02  0.859866D+01 -0.939960D+00
      2  -0.708517D+01 -0.127782D+02 -0.894233D+00 -0.108277D+02  0.545264D-01
      3   0.196757D+01  0.244092D+01 -0.112439D+02  0.222902D+01  0.885434D+00
      4   0.332445D+02  0.218797D+02  0.661186D+01  0.153236D+02  0.426135D+02
      5   0.219896D+02  0.646509D+02 -0.302380D+02  0.467335D+02 -0.401946D+02
      6  -0.910073D+01 -0.188504D+02  0.128191D+02 -0.150279D+02  0.792027D+01
               226           227           228           229           230 
      1  -0.687663D+01 -0.160362D+02  0.448527D+01 -0.713216D+01 -0.456823D+02
      2   0.685827D+01  0.148695D+02 -0.307826D+01  0.677092D+01  0.515282D+02
      3   0.183614D-01  0.116674D+01 -0.140702D+01  0.361239D+00 -0.584588D+01
      4  -0.420635D-01  0.558107D+01 -0.914414D+00  0.252882D+01 -0.989637D+01
      5   0.338677D+00 -0.655367D+00  0.110771D+01 -0.597045D-01  0.396788D+01
      6  -0.230333D+01 -0.422544D+01  0.271674D+01 -0.180259D+01 -0.152292D+02
               231           232           233           234           235 
      1   0.113349D+02  0.217346D+01  0.118466D+02 -0.452171D+01  0.335880D+02
      2  -0.958670D+01 -0.186456D+01 -0.117631D+02  0.389540D+01 -0.110945D+02
      3  -0.174820D+01 -0.308892D+00 -0.835026D-01  0.626315D+00 -0.224935D+02
      4   0.274642D+01 -0.893599D-01  0.273147D+01  0.101806D+01 -0.310546D+02
      5  -0.249659D+01  0.150061D+01 -0.208825D+00 -0.113726D+00  0.580322D+01
      6   0.929113D+01  0.688866D+00  0.606548D+01 -0.367887D+01 -0.205277D+01
               236           237           238           239           240 
      1  -0.128028D+02  0.115093D+01 -0.153342D+02  0.399981D+01 -0.887827D+00
      2  -0.133244D+00  0.365267D-01 -0.378239D+01  0.154666D+02 -0.972021D+00
      3   0.129360D+02 -0.118746D+01  0.191166D+02 -0.194664D+02  0.185985D+01
      4   0.254113D+02 -0.382393D+01  0.376057D+02 -0.433624D+02  0.693343D+01
      5  -0.491720D+01  0.355108D+01 -0.904376D+01  0.893253D+01 -0.625831D+01
      6   0.238412D+01 -0.196575D+01  0.564232D+01 -0.661213D+01  0.519781D+01
               241           242           243           244           245 
      1   0.121023D+01 -0.687396D+00 -0.167736D+01  0.490413D+01  0.852577D+01
      2   0.245252D+01 -0.258231D+01  0.166068D+01  0.261279D+01  0.853187D+00
      3  -0.366275D+01  0.326971D+01  0.166768D-01 -0.751692D+01 -0.937896D+01
      4  -0.760794D+01  0.821015D+01 -0.315743D+01  0.250136D+02  0.235417D+02
      5  -0.148426D+00 -0.282755D+01  0.205179D+01 -0.584768D+01 -0.505684D+01
      6  -0.228979D+00  0.280506D+01 -0.182558D+01 -0.298821D+01 -0.276218D+01
               246           247           248           249           250 
      1  -0.210061D+01  0.603952D+01 -0.899936D+01  0.210326D+01 -0.163508D+01
      2   0.645944D+00  0.665017D+01  0.240354D+02 -0.325459D+01 -0.422671D+00
      3   0.145466D+01 -0.126897D+02 -0.150360D+02  0.115133D+01  0.205775D+01
      4  -0.610852D+01  0.311395D+02  0.508859D+02 -0.119144D+02 -0.825771D+01
      5   0.493085D+01 -0.665399D+01 -0.100846D+02  0.838953D+01  0.454047D+01
      6   0.265323D+01 -0.477552D+01 -0.886868D+01  0.731145D+01  0.365429D+01
               251           252           253           254           255 
      1   0.148923D+01 -0.120574D+01  0.139595D+01 -0.586075D+01 -0.114771D+02
      2  -0.416876D+01  0.235662D+01  0.331335D-01  0.334201D+01  0.568703D+01
      3   0.267953D+01 -0.115088D+01 -0.142909D+01  0.251874D+01  0.579007D+01
      4  -0.129633D+02  0.519722D+01 -0.270668D+01 -0.113436D+01  0.213409D+01
      5   0.327730D+01 -0.310608D+01 -0.104186D+02  0.127811D+01 -0.307980D+01
      6   0.449273D+01 -0.360715D+01  0.262748D+01  0.920834D+00  0.203457D+01
               256           257           258           259           260 
      1  -0.212335D+02  0.390386D+01  0.858129D+00 -0.305795D+02  0.338241D+01
      2   0.544331D+01  0.108686D+02  0.460405D+01  0.135738D+02  0.247640D+01
      3   0.157902D+02 -0.147724D+02 -0.546218D+01  0.170057D+02 -0.585881D+01
      4   0.372264D+02 -0.567698D+02 -0.301081D+02  0.229110D+02 -0.324598D+02
      5   0.169997D+02 -0.309346D+02 -0.311411D+02  0.263231D+02 -0.318837D+02
      6  -0.837259D+01  0.145921D+02  0.127818D+02 -0.985859D+01  0.139473D+02
               261           262           263           264           265 
      1   0.138781D+01  0.105479D+02 -0.165671D+01  0.133314D+02 -0.746450D+01
      2  -0.190019D+01 -0.673979D+01  0.111150D+01 -0.589763D+01  0.269761D+01
      3   0.512378D+00 -0.380808D+01  0.545211D+00 -0.743377D+01  0.476689D+01
      4  -0.295339D+02 -0.992395D+00 -0.947586D+00 -0.545331D+01  0.209041D+02
      5  -0.321574D+02  0.147114D+02 -0.467657D+01  0.400354D+01 -0.155651D+02
      6   0.123697D+02 -0.325823D+01  0.964048D+00  0.238072D+00  0.491899D+01
               266           267           268           269           270 
      1   0.427727D+01 -0.547185D+01  0.455153D+02 -0.989890D+01  0.115380D+02
      2   0.184711D+00  0.215587D+01 -0.285953D+02  0.577183D+01 -0.160861D+02
      3  -0.446198D+01  0.331599D+01 -0.169200D+02  0.412708D+01  0.454802D+01
      4  -0.215073D+02  0.162932D+02 -0.246054D+02  0.211993D+02 -0.271277D+02
      5   0.171427D+02 -0.266629D+02  0.479860D+02 -0.308338D+02  0.753936D+02
      6  -0.599780D+01  0.107560D+02 -0.113980D+02  0.113747D+02 -0.168801D+02
               271           272           273           274           275 
      1   0.199199D+03  0.187832D+02 -0.142208D+02  0.606939D+02  0.191391D+02
      2  -0.105776D+03 -0.108076D+02  0.802061D+01 -0.329339D+02 -0.970791D+01
      3  -0.934234D+02 -0.797558D+01  0.620019D+01 -0.277601D+02 -0.943116D+01
      4   0.162007D+02  0.149674D+02 -0.819966D+00  0.232046D+02  0.140665D+02
      5  -0.151797D+02 -0.954985D+00  0.176967D+02 -0.362091D+01 -0.450606D+01
      6   0.222423D+01 -0.257574D-01 -0.111579D+01  0.140644D+00  0.578404D+00
               276           277           278           279 
      1  -0.423907D+01 -0.238515D+02 -0.224657D+01  0.177081D+02
      2   0.293224D+01  0.134597D+02  0.213137D+01 -0.105434D+02
      3   0.130683D+01  0.103919D+02  0.115202D+00 -0.716476D+01
      4  -0.447390D+01 -0.109720D+01 -0.524811D+01 -0.115920D+01
      5   0.438933D+01  0.255788D+02 -0.133034D+01 -0.355358D+01
      6   0.141879D+01 -0.113203D+01  0.238792D+01 -0.196929D+00
 Leave Link  716 at Thu Aug 12 21:28:59 2021, MaxMem=  5368709120 cpu:               0.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.309086D+03 -0.188824D+02 -0.810287D+01
      2  -0.188824D+02  0.177880D+03 -0.116687D+02
      3  -0.810287D+01 -0.116687D+02  0.121264D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.647459D+01  0.201925D+02 -0.197487D+01
      2  -0.108070D+01 -0.166630D+02 -0.305384D+02
      3   0.139514D+03 -0.553791D+02  0.207282D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.389734D+03 -0.194041D+03  0.196625D+02
      2  -0.190820D+03  0.151286D+03 -0.507261D+02
      3  -0.198913D+03  0.427554D+02  0.310636D+02
      4  -0.121933D+03  0.102911D+03 -0.468500D+02
      5   0.806332D+02 -0.565894D+02 -0.603804D+02
      6  -0.203206D+02  0.138365D+02 -0.622031D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.442850D+02  0.130977D+02 -0.999017D+00 -0.368892D+02  0.662246D+01
      2   0.130977D+02 -0.776549D+01  0.109662D+01  0.662246D+01 -0.571242D+01
      3  -0.999017D+00  0.109662D+01  0.249831D-01  0.255308D+00  0.819159D+00
                 6             7             8             9            10 
      1   0.255308D+00  0.121206D+02 -0.281792D+01 -0.100762D+01  0.417787D+02
      2   0.819159D+00 -0.281792D+01  0.147807D+01 -0.998004D+00 -0.137264D+02
      3  -0.135459D+00 -0.100762D+01 -0.998004D+00  0.631865D+00  0.108894D+01
                11            12            13            14            15 
      1  -0.137264D+02  0.108894D+01  0.399405D+02 -0.736688D+01 -0.221629D+00
      2   0.446589D+01 -0.234856D+00 -0.736688D+01  0.774109D+01 -0.125072D+01
      3  -0.234856D+00  0.670148D-01 -0.221629D+00 -0.125072D+01  0.188733D+00
                16            17            18            19            20 
      1  -0.123604D+02  0.290493D+01  0.809415D+00  0.464670D+02 -0.131086D+02
      2   0.290493D+01 -0.175309D+01  0.106895D+01 -0.131086D+02  0.114664D+02
      3   0.809415D+00  0.106895D+01 -0.425183D+00  0.119974D+01 -0.208273D+01
                21            22            23            24            25 
      1   0.119974D+01 -0.257152D+02  0.466631D+01 -0.635096D+00  0.483142D+01
      2  -0.208273D+01  0.466631D+01 -0.836356D+01  0.388761D+00 -0.900900D+00
      3   0.754075D+00 -0.635096D+00  0.388761D+00 -0.185604D+01 -0.644747D+00
                26            27            28            29            30 
      1  -0.900900D+00 -0.644747D+00 -0.564677D+02  0.734305D+01  0.366803D+00
      2  -0.253492D+00 -0.314977D+01  0.734305D+01 -0.531429D+01  0.116589D+00
      3  -0.314977D+01  0.221914D+01  0.366803D+00  0.116589D+00 -0.227625D+01
                31            32            33            34            35 
      1   0.886757D+01 -0.409114D+01 -0.793740D+00 -0.465828D+01 -0.542688D+00
      2  -0.409114D+01  0.174941D+02 -0.374038D+01 -0.542688D+00 -0.313706D+01
      3  -0.793740D+00 -0.374038D+01  0.874342D+00 -0.697115D+01  0.173279D+01
                36            37            38            39            40 
      1  -0.697115D+01  0.675889D+00 -0.243677D+01  0.575425D+00  0.144467D+02
      2   0.173279D+01 -0.243677D+01 -0.144347D+02  0.334406D+01 -0.168953D+01
      3   0.156118D+00  0.575425D+00  0.334406D+01 -0.237787D+01 -0.112605D+01
                41            42            43            44            45 
      1  -0.168953D+01 -0.112605D+01 -0.397790D+01 -0.777688D+00 -0.539753D+01
      2  -0.633008D+01  0.276924D+01 -0.777688D+00  0.378069D+01  0.211018D+01
      3   0.276924D+01  0.935159D+00 -0.539753D+01  0.211018D+01 -0.953785D+00
                46            47            48            49            50 
      1   0.526191D+01  0.250109D+01 -0.825463D+00  0.238364D+01 -0.466078D+01
      2   0.250109D+01  0.996535D+01 -0.182597D+01 -0.466078D+01  0.123080D+01
      3  -0.825463D+00 -0.182597D+01  0.182576D+01  0.134623D+01  0.143399D+01
                51            52            53            54            55 
      1   0.134623D+01 -0.490549D+00  0.129405D+01  0.792188D+00 -0.203699D+01
      2   0.143399D+01  0.129405D+01  0.138283D+01  0.412642D+01 -0.339185D+01
      3   0.632138D+00  0.792188D+00  0.412642D+01 -0.251375D+01  0.889590D+00
                56            57            58            59            60 
      1  -0.339185D+01  0.889590D+00 -0.259083D+01  0.442870D+01 -0.125312D+01
      2  -0.525393D+01  0.877871D+00  0.442870D+01 -0.285494D+01 -0.854619D+00
      3   0.877871D+00 -0.179944D+01 -0.125312D+01 -0.854619D+00 -0.650817D+00
                61            62            63            64            65 
      1   0.525244D+00 -0.130855D+01 -0.291947D+00 -0.162852D+01 -0.222110D+01
      2  -0.130855D+01 -0.926803D+00 -0.372927D+01 -0.222110D+01 -0.112210D+01
      3  -0.291947D+00 -0.372927D+01  0.245722D+01  0.603397D+00  0.307202D+00
                66            67            68            69            70 
      1   0.603397D+00 -0.289731D+01 -0.283194D+01  0.862128D+00  0.953728D+00
      2   0.307202D+00 -0.283194D+01 -0.529582D+01  0.132026D+01  0.870913D+00
      3  -0.368421D+00  0.862128D+00  0.132026D+01 -0.108282D+01 -0.282111D+00
                71            72            73            74            75 
      1   0.870913D+00 -0.282111D+00 -0.567673D+01  0.364156D+01 -0.494871D+00
      2   0.134132D+01 -0.428772D+00  0.364156D+01 -0.372333D+01  0.600190D+00
      3  -0.428772D+00  0.356125D+00 -0.494871D+00  0.600190D+00 -0.473656D+00
                76            77            78            79            80 
      1   0.409364D+01 -0.483202D+01  0.100416D+01 -0.635794D+00  0.108008D+01
      2  -0.483202D+01  0.676069D+01 -0.105741D+01  0.108008D+01 -0.124506D+01
      3   0.100416D+01 -0.105741D+01  0.843550D+00  0.231121D+00  0.499155D+00
                81            82            83            84            85 
      1   0.231121D+00  0.108559D+01  0.192105D+01 -0.514132D+00  0.830008D+00
      2   0.499155D+00  0.192105D+01  0.284473D+01 -0.734780D+00  0.189334D+01
      3  -0.340243D+00 -0.514132D+00 -0.734780D+00  0.425194D+00 -0.419477D+00
                86            87            88            89            90 
      1   0.189334D+01 -0.419477D+00 -0.209782D+00 -0.478788D+00  0.209028D+00
      2   0.101178D+02 -0.231661D+01 -0.478788D+00 -0.264294D+01  0.695641D+00
      3  -0.231661D+01  0.138495D+01  0.209028D+00  0.695641D+00 -0.431414D+00
                91            92            93            94            95 
      1   0.193213D+02 -0.210953D+01  0.241016D+00  0.673554D+01  0.124595D+01
      2  -0.210953D+01  0.195040D+01  0.766305D+00  0.124595D+01 -0.256493D+01
      3   0.241016D+00  0.766305D+00  0.283493D+01  0.789196D+00  0.227196D+01
                96            97            98            99           100 
      1   0.789196D+00 -0.385770D+01  0.181117D+01  0.842199D+01  0.977134D+01
      2   0.227196D+01  0.181117D+01  0.194721D+01 -0.261338D+00  0.304640D+00
      3   0.930915D+00  0.842199D+01 -0.261338D+00 -0.196659D+01 -0.239087D+01
               101           102           103           104           105 
      1   0.304640D+00 -0.239087D+01 -0.990023D+00 -0.188080D+01 -0.308152D+00
      2  -0.181348D+01 -0.405927D+00 -0.188080D+01 -0.111454D+00 -0.377304D+01
      3  -0.405927D+00 -0.208389D+01 -0.308152D+00 -0.377304D+01 -0.821790D+00
               106           107           108           109           110 
      1   0.696688D+01 -0.989260D+00 -0.554797D+01  0.598161D+01  0.404452D+01
      2  -0.989260D+00 -0.247843D+01 -0.134615D+00  0.404452D+01  0.179602D+01
      3  -0.554797D+01 -0.134615D+00  0.307332D+01 -0.152254D+01 -0.565616D+00
               111           112           113           114           115 
      1  -0.152254D+01  0.847461D+00  0.182528D+01 -0.133510D+01 -0.951074D+01
      2  -0.565616D+00  0.182528D+01  0.800692D+00 -0.113027D+01 -0.231029D+01
      3  -0.876364D+00 -0.133510D+01 -0.113027D+01 -0.135587D+00 -0.395260D+01
               116           117           118           119           120 
      1  -0.231029D+01 -0.395260D+01 -0.146959D+01  0.241056D+01 -0.883462D+00
      2  -0.194524D+01 -0.108199D+00  0.241056D+01 -0.201739D+01  0.114811D+00
      3  -0.108199D+00  0.490698D+00 -0.883462D+00  0.114811D+00 -0.131669D+01
               121           122           123           124           125 
      1   0.466647D+01 -0.224308D+01  0.259134D+00 -0.160208D+01  0.205351D+00
      2  -0.224308D+01  0.520036D+01 -0.119171D+01  0.205351D+00 -0.156602D+01
      3   0.259134D+00 -0.119171D+01  0.140858D+01 -0.162072D+01  0.114483D+01
               126           127           128           129           130 
      1  -0.162072D+01  0.418829D+00 -0.671679D+00  0.237238D+00 -0.188740D+01
      2   0.114483D+01 -0.671679D+00  0.904777D+00 -0.405027D+00  0.196953D+00
      3  -0.690031D+00  0.237238D+00 -0.405027D+00  0.161053D+01  0.393865D+00
               131           132           133           134           135 
      1   0.196953D+00  0.393865D+00  0.316337D+00 -0.156236D-02  0.348910D+00
      2  -0.324842D+01  0.217606D+01 -0.156236D-02  0.163812D+01 -0.133665D+01
      3   0.217606D+01 -0.272115D+01  0.348910D+00 -0.133665D+01  0.222923D+01
               136           137           138           139           140 
      1  -0.166253D+02  0.202391D+00  0.416330D+01 -0.712680D+00 -0.117774D+01
      2   0.202391D+00 -0.811049D+00 -0.239853D+00 -0.117774D+01 -0.855681D-01
      3   0.416330D+01 -0.239853D+00 -0.254841D+01  0.256151D-01  0.709133D+00
               141           142           143           144           145 
      1   0.256151D-01  0.145281D+01  0.159722D+00 -0.131769D+01 -0.476952D+00
      2   0.709133D+00  0.159722D+00  0.109770D+00 -0.369826D-01  0.803126D+00
      3  -0.139570D+00 -0.131769D+01 -0.369826D-01  0.448192D+00  0.692970D+00
               146           147           148           149           150 
      1   0.803126D+00  0.692970D+00  0.136769D+01  0.344573D-01 -0.446220D+00
      2   0.984872D+00  0.705787D+00  0.344573D-01  0.391311D+01  0.311290D+01
      3   0.705787D+00  0.156263D+01 -0.446220D+00  0.311290D+01  0.360087D+01
               151           152           153           154           155 
      1  -0.231693D-01 -0.588504D-01  0.120009D+00 -0.164499D+02 -0.522918D+01
      2  -0.588504D-01  0.215806D+01  0.230579D+01 -0.522918D+01 -0.315919D+01
      3   0.120009D+00  0.230579D+01  0.365811D+01  0.100557D+01 -0.240514D+00
               156           157           158           159           160 
      1   0.100557D+01 -0.894138D+01 -0.607080D+01  0.674233D+00  0.184039D+01
      2  -0.240514D+00 -0.607080D+01 -0.518865D+01  0.629676D+00  0.896413D+00
      3  -0.245104D+01  0.674233D+00  0.629676D+00 -0.153400D+01 -0.219231D+01
               161           162           163           164           165 
      1   0.896413D+00 -0.219231D+01 -0.125015D+02 -0.369153D+01 -0.303062D+01
      2   0.134528D+01 -0.120796D+01 -0.369153D+01 -0.653591D+00 -0.205788D-01
      3  -0.120796D+01  0.175833D+01 -0.303062D+01 -0.205788D-01 -0.124511D+01
               166           167           168           169           170 
      1  -0.813251D+01 -0.157106D+01 -0.118556D+01  0.210998D+01  0.459527D+00
      2  -0.157106D+01 -0.131340D+01 -0.183310D+01  0.459527D+00 -0.239543D+00
      3  -0.118556D+01 -0.183310D+01 -0.251128D+01 -0.646267D+00 -0.145207D+01
               171           172           173           174           175 
      1  -0.646267D+00  0.101053D+02  0.302858D+01  0.112097D+01  0.913270D+01
      2  -0.145207D+01  0.302858D+01  0.102220D+01  0.581251D+00  0.159695D+01
      3  -0.681218D+01  0.112097D+01  0.581251D+00  0.277138D+01  0.152614D+01
               176           177           178           179           180 
      1   0.159695D+01  0.152614D+01  0.395120D+01  0.646990D+00  0.168442D+01
      2   0.641192D+00 -0.381788D+00  0.646990D+00 -0.930562D+00  0.652695D+00
      3  -0.381788D+00  0.179024D+01  0.168442D+01  0.652695D+00 -0.155682D+01
               181           182           183           184           185 
      1   0.299376D+01  0.195451D+01 -0.339866D+00 -0.160744D+02  0.420764D+01
      2   0.195451D+01  0.102460D+02 -0.246639D+01  0.420764D+01  0.265227D+01
      3  -0.339866D+00 -0.246639D+01  0.235772D+01  0.802381D+00 -0.201521D+01
               186           187           188           189           190 
      1   0.802381D+00  0.413063D+01 -0.354552D+00  0.395362D+01  0.369704D+02
      2  -0.201521D+01 -0.354552D+00 -0.284546D+01 -0.236160D+01 -0.879338D+01
      3  -0.812657D+00  0.395362D+01 -0.236160D+01  0.102276D+01  0.650641D+00
               191           192           193           194           195 
      1  -0.879338D+01  0.650641D+00 -0.429059D+01  0.399189D+01  0.977799D+00
      2   0.978977D+01 -0.131627D+01  0.399189D+01 -0.141630D+02  0.294561D+01
      3  -0.131627D+01  0.286211D+01  0.977799D+00  0.294561D+01 -0.768924D+00
               196           197           198           199           200 
      1  -0.383189D+00  0.126164D+01  0.688082D+01 -0.381653D+02  0.141435D+02
      2   0.126164D+01  0.212312D+01 -0.204209D+01  0.141435D+02 -0.965140D+01
      3   0.688082D+01 -0.204209D+01 -0.130794D+00 -0.128101D+01  0.183573D+01
               201           202           203           204           205 
      1  -0.128101D+01  0.206117D+02 -0.676737D+01  0.775774D+00 -0.244714D+01
      2   0.183573D+01 -0.676737D+01  0.837615D+01 -0.791047D-01  0.121487D+01
      3  -0.530533D+00  0.775774D+00 -0.791047D-01  0.156841D+01  0.580367D+00
               206           207           208           209           210 
      1   0.121487D+01  0.580367D+00 -0.742236D+01  0.511492D+01 -0.818287D+00
      2   0.836328D+00  0.422975D+01  0.511492D+01 -0.448636D+01  0.881450D+00
      3   0.422975D+01 -0.270181D+01 -0.818287D+00  0.881450D+00  0.944849D-01
               211           212           213           214           215 
      1  -0.172460D+01  0.349140D+01 -0.755961D+00  0.949234D+00 -0.107278D+01
      2   0.349140D+01  0.853400D+00 -0.484250D+00 -0.107278D+01  0.432118D+00
      3  -0.755961D+00 -0.484250D+00 -0.874703D+00  0.461291D+00  0.728312D+00
               216           217           218           219           220 
      1   0.461291D+00  0.835771D+00 -0.500227D+01  0.105014D+01 -0.320821D+01
      2   0.728312D+00 -0.500227D+01  0.243117D+01  0.951559D-01 -0.197439D+01
      3  -0.171832D+00  0.105014D+01  0.951559D-01  0.576760D-01  0.481262D+00
               221           222           223           224           225 
      1  -0.197439D+01  0.481262D+00  0.413090D+00  0.531514D+00 -0.268362D+01
      2   0.263146D+01  0.211301D+01  0.531514D+00  0.156792D+01  0.412323D+01
      3   0.211301D+01  0.525990D+01 -0.268362D+01  0.412323D+01 -0.334990D+01
               226           227           228           229           230 
      1  -0.660975D+00 -0.169322D+01  0.449691D+00 -0.443664D+00 -0.125107D+01
      2  -0.169322D+01 -0.244590D+01  0.646213D+00 -0.125107D+01 -0.877643D+01
      3   0.449691D+00  0.646213D+00 -0.392559D+00  0.302582D+00  0.201181D+01
               231           232           233           234           235 
      1   0.302582D+00  0.179496D+00  0.423772D+00 -0.362952D-01  0.590842D+01
      2   0.201181D+01  0.423772D+00  0.221700D+01 -0.631420D+00 -0.320771D+01
      3  -0.128985D+01 -0.362952D-01 -0.631420D+00  0.400980D+00  0.390301D+00
               236           237           238           239           240 
      1  -0.320771D+01  0.390301D+00 -0.473460D+01  0.461176D+01 -0.974980D+00
      2   0.283169D+01 -0.442118D+00  0.461176D+01 -0.573814D+01  0.954031D+00
      3  -0.442118D+00  0.309606D+00 -0.974980D+00  0.954031D+00 -0.732153D+00
               241           242           243           244           245 
      1   0.717923D+00 -0.101454D+01 -0.249031D+00  0.209300D+01  0.292219D+01
      2  -0.101454D+01  0.116133D+01 -0.277497D+00  0.292219D+01  0.225791D+01
      3  -0.249031D+00 -0.277497D+00  0.257163D+00 -0.797891D+00 -0.625853D+00
               246           247           248           249           250 
      1  -0.797891D+00  0.363404D+01  0.371381D+01 -0.997328D+00 -0.974535D+00
      2  -0.625853D+00  0.371381D+01  0.710621D+01 -0.171501D+01 -0.100939D+01
      3   0.563076D+00 -0.997328D+00 -0.171501D+01  0.129149D+01  0.551965D+00
               251           252           253           254           255 
      1  -0.100939D+01  0.551965D+00 -0.882372D+00  0.433757D-01 -0.844827D+00
      2  -0.181806D+01  0.538934D+00  0.433757D-01 -0.699704D+00 -0.284760D-01
      3   0.538934D+00 -0.434464D+00 -0.844827D+00 -0.284760D-01 -0.519480D+00
               256           257           258           259           260 
      1  -0.269379D+01  0.286761D+01  0.146835D+01 -0.369010D+01  0.191640D+01
      2   0.286761D+01 -0.513295D+01 -0.290389D+01  0.191640D+01 -0.308438D+01
      3   0.146835D+01 -0.290389D+01 -0.272829D+01  0.220480D+01 -0.296240D+01
               261           262           263           264           265 
      1   0.220480D+01 -0.321855D-01  0.234449D+00  0.117857D+01 -0.894977D+00
      2  -0.296240D+01  0.234449D+00 -0.491241D+00 -0.262720D+00  0.150567D+01
      3  -0.306736D+01  0.117857D+01 -0.262720D+00 -0.180851D-01 -0.120617D+01
               266           267           268           269           270 
      1   0.150567D+01 -0.120617D+01  0.540288D+01 -0.195187D+01  0.380761D+01
      2  -0.177970D+01  0.145843D+01 -0.195187D+01  0.180415D+01 -0.266541D+01
      3   0.145843D+01 -0.221134D+01  0.380761D+01 -0.266541D+01  0.661333D+01
               271           272           273           274           275 
      1   0.151125D+02  0.157201D+01 -0.116145D+01  0.526370D+01  0.150844D+01
      2   0.157201D+01  0.886039D+00 -0.715541D-01  0.150844D+01  0.114010D+01
      3  -0.116145D+01 -0.715541D-01  0.115664D+01 -0.285579D+00 -0.386913D+00
               276           277           278           279 
      1  -0.285579D+00 -0.204055D+01 -0.877103D-01  0.178405D+01
      2  -0.386913D+00 -0.877103D-01 -0.457180D+00 -0.172631D+00
      3   0.297133D+00  0.178405D+01 -0.172631D+00 -0.226426D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.217498D+01  0.287473D+01  0.159322D+00  0.217796D+01 -0.876021D+00
      2   0.197349D+01  0.101036D+02 -0.108938D+01  0.704366D+01 -0.737504D+01
      3  -0.231602D+02  0.464594D+02 -0.107072D+02  0.225282D+02 -0.303855D+02
                 6             7             8             9            10 
      1  -0.149686D+00 -0.508800D+01  0.787571D+01 -0.189356D+01 -0.479490D+00
      2   0.196782D+01 -0.209130D+02  0.402691D+01 -0.149555D+00 -0.250140D+01
      3   0.622614D+01  0.193351D+01  0.309729D+01 -0.426632D+00  0.308421D+02
                11            12            13            14            15 
      1   0.335629D+01 -0.119724D+01  0.159593D+00  0.646015D+00  0.631328D-01
      2   0.102175D+02 -0.599242D+01  0.641181D+01 -0.659467D+01  0.138986D+01
      3   0.359724D+02 -0.960007D+01  0.755969D+02 -0.345750D+02  0.409932D+01
                16            17            18            19            20 
      1  -0.520089D+01  0.699632D+01 -0.154865D+01 -0.305928D+01 -0.100075D+01
      2  -0.237319D+02  0.380011D+01  0.667613D+00 -0.512612D+01 -0.870128D+01
      3  -0.147082D+02  0.504785D+01 -0.621468D+00  0.225901D+02 -0.439777D+02
                21            22            23            24            25 
      1   0.778140D-01 -0.117402D+01  0.535021D-01 -0.105746D+01 -0.678581D+01
      2   0.962508D+00 -0.225394D+01  0.322158D+01  0.942430D+00 -0.200710D+02
      3   0.103601D+02 -0.132224D+02  0.606069D+01 -0.258934D+01  0.905818D+01
                26            27            28            29            30 
      1   0.322566D+01 -0.116134D+01 -0.105099D+01  0.183843D+01  0.666488D+00
      2   0.883872D+01 -0.183295D+01  0.384621D+00  0.395005D+01  0.836321D+00
      3  -0.248737D+01 -0.141674D+01 -0.469432D+02  0.162340D+02 -0.237893D+01
                31            32            33            34            35 
      1   0.594148D+01  0.532344D+01  0.113446D+00  0.388434D+01  0.144599D+02
      2   0.437790D+01 -0.143708D+01  0.260817D+00 -0.145068D+02  0.160922D+01
      3   0.377599D+02 -0.116445D+02  0.674111D-01 -0.486308D+01 -0.137455D+01
                36            37            38            39            40 
      1  -0.313452D+01 -0.504217D+00  0.505732D+00  0.524273D+01  0.278014D+01
      2   0.245768D+00 -0.567233D+01  0.129311D+01  0.793524D+00 -0.315667D+01
      3  -0.385988D+01 -0.171275D+02  0.531813D+01 -0.150794D+01  0.108556D+02
                41            42            43            44            45 
      1  -0.561611D+00 -0.210042D+01  0.190487D+02  0.440750D+01 -0.143224D+01
      2  -0.366860D+01 -0.139643D+01 -0.733041D+01 -0.787696D+01  0.229980D+01
      3  -0.207001D+01 -0.113818D+01 -0.430585D+01 -0.521191D-02 -0.808623D+01
                46            47            48            49            50 
      1   0.509878D+00 -0.283850D+01 -0.474509D+01 -0.314432D+01 -0.349437D+00
      2   0.855901D+01 -0.781548D+01  0.243457D+01 -0.748895D+01  0.778983D+01
      3   0.373052D+02 -0.325641D+02  0.644212D+01 -0.105050D+02  0.281764D+02
                51            52            53            54            55 
      1  -0.246244D+01 -0.957097D+01 -0.557824D+01  0.400777D+01  0.987591D+00
      2  -0.154643D+01 -0.159428D+02 -0.728602D+00  0.213575D+01  0.747950D+01
      3  -0.469993D+01  0.523366D+01 -0.350168D+01  0.597868D+01  0.390781D+02
                56            57            58            59            60 
      1  -0.418468D+01 -0.314884D+01 -0.154326D+01  0.661736D+00 -0.148801D+01
      2  -0.965302D+01 -0.228263D+01 -0.737947D+01  0.690609D+01 -0.250351D+01
      3  -0.369126D+02  0.883958D+01 -0.883231D+01  0.359676D+02 -0.520512D+01
                61            62            63            64            65 
      1  -0.791431D+01 -0.355330D+01  0.202748D+01 -0.291371D+00 -0.527173D+00
      2  -0.221014D+02 -0.330864D+01  0.579376D+01  0.814221D+00  0.724439D+00
      3   0.688047D+01 -0.290556D+01  0.112597D+02  0.814474D+00 -0.806753D-01
                66            67            68            69            70 
      1  -0.132019D+01 -0.806320D+00 -0.162170D+01 -0.277921D+01 -0.618290D+00
      2   0.214488D+00  0.106443D+01 -0.532137D+00  0.177045D+01 -0.215186D+01
      3   0.131733D+00  0.291424D+01 -0.556122D+01  0.135942D+01 -0.100735D-01
                71            72            73            74            75 
      1   0.252193D+01  0.398819D+00 -0.383901D+00  0.326338D+00  0.240256D+01
      2  -0.103946D+01  0.839146D-01 -0.158174D+01  0.101187D+00  0.177231D+01
      3   0.141953D+01  0.424054D+00 -0.103109D+02  0.168693D+01 -0.208813D+00
                76            77            78            79            80 
      1  -0.131958D+01  0.366879D+00 -0.357982D+01 -0.313382D+01  0.100718D+01
      2  -0.418762D+00  0.351775D+00 -0.240961D+01 -0.192415D+01 -0.242755D+00
      3   0.399154D+01  0.621357D+00  0.803521D+00  0.399346D+00 -0.187571D+00
                81            82            83            84            85 
      1   0.679719D+00  0.670779D+00  0.383147D+00 -0.178657D+01  0.565655D+00
      2   0.878133D+00  0.124694D+01  0.723778D+00  0.619634D+00  0.930392D+00
      3   0.142103D+01  0.593014D+01  0.320572D+01 -0.130451D+01  0.497919D+01
                86            87            88            89            90 
      1   0.129617D+01 -0.509230D+01  0.108955D+01  0.215198D+01  0.670756D+00
      2   0.119000D+01  0.955203D+00 -0.940132D+00  0.499652D+00 -0.729544D+00
      3   0.393119D+01 -0.148031D+01 -0.114565D+01 -0.175979D+01 -0.378689D+00
                91            92            93            94            95 
      1   0.298247D+01  0.950680D+00 -0.155413D+01  0.663962D+01  0.309809D+00
      2  -0.503068D+01 -0.213850D+01 -0.608199D+01 -0.225235D+01 -0.107118D+02
      3   0.180511D+02 -0.762605D-01  0.233380D+01  0.271609D+02 -0.161991D+02
                96            97            98            99           100 
      1  -0.222166D+01 -0.206450D+01  0.565056D+01  0.106638D+01  0.422089D+01
      2  -0.133721D+01 -0.367507D+02  0.146410D+01  0.539095D+01 -0.104633D+02
      3   0.105721D+02 -0.351750D+00  0.145749D+02  0.778399D+01  0.658821D+01
               101           102           103           104           105 
      1  -0.675169D+01  0.806733D+00 -0.238702D+01  0.366821D+00 -0.124760D+02
      2  -0.101173D+01  0.169447D+02 -0.284150D+01  0.200252D+02  0.324542D+01
      3  -0.150717D+02 -0.561668D+00 -0.937391D+01  0.178350D+01 -0.170682D+02
               106           107           108           109           110 
      1   0.328429D+01 -0.648783D+01 -0.372986D+01 -0.514034D+01  0.174611D+01
      2   0.194996D+02 -0.467266D+00 -0.664398D+01  0.119965D+02  0.581929D+01
      3   0.791981D+01 -0.159782D+02 -0.542929D+01 -0.741175D+01  0.818932D+01
               111           112           113           114           115 
      1   0.101688D+02 -0.111511D+02 -0.737691D+01 -0.516481D+01  0.993287D+01
      2   0.345314D+01  0.631983D+01  0.527424D+01 -0.111909D+02  0.677893D+01
      3  -0.797114D+01  0.624946D+01  0.195336D+02 -0.391016D+01 -0.204387D+02
               116           117           118           119           120 
      1   0.199197D+01  0.534754D+01  0.147583D+01 -0.110133D+01  0.107691D+01
      2  -0.257663D+01  0.294785D+01  0.408656D+01 -0.145633D+01  0.569951D+01
      3  -0.984814D+01 -0.479992D+01  0.976032D+01 -0.727497D+01  0.115413D+00
               121           122           123           124           125 
      1  -0.126501D+01  0.188549D+01 -0.277961D+01  0.113262D+01 -0.291677D+00
      2  -0.185562D+01  0.540858D+01 -0.545299D+01  0.352377D+01 -0.414782D+01
      3  -0.939102D+00  0.188307D+02 -0.473892D+01 -0.960548D+00 -0.652226D+01
               126           127           128           129           130 
      1   0.708358D+00 -0.275127D+01  0.320736D+01 -0.850381D+00  0.130355D+01
      2   0.265990D+01 -0.435319D+01  0.380644D+01 -0.608293D+01  0.350375D+01
      3   0.274701D+01 -0.524523D+01  0.448153D+01 -0.206776D+01  0.362961D+01
               131           132           133           134           135 
      1  -0.901475D+01  0.359255D+01 -0.265343D+00  0.527313D+01 -0.304947D+01
      2  -0.103214D+02  0.994251D+01 -0.264649D+01  0.523345D+01 -0.912383D+01
      3  -0.136770D+02  0.920164D+01  0.449824D-02  0.598027D+01 -0.556228D+01
               136           137           138           139           140 
      1  -0.284329D+01 -0.264388D+01  0.749000D+00 -0.265136D+01 -0.107757D+01
      2   0.981735D+01  0.941630D+00  0.753459D+01  0.782180D+00 -0.748646D+00
      3  -0.874080D+01 -0.601882D+01  0.125860D+01 -0.458769D+01 -0.114823D+01
               141           142           143           144           145 
      1   0.496459D+00  0.222831D-02  0.143014D+01 -0.317562D+00  0.180248D+01
      2   0.933304D+00  0.138491D+01  0.102060D+01  0.599024D+00 -0.404778D+01
      3   0.249843D+01 -0.512954D+00  0.295666D+01 -0.129187D+01  0.311174D+01
               146           147           148           149           150 
      1   0.299972D+01  0.168324D+00  0.175272D+01  0.787861D+01  0.284848D+01
      2  -0.409042D+01 -0.661189D+01 -0.210597D+01 -0.129317D+02 -0.130995D+02
      3   0.447189D+01  0.256660D+01  0.334676D+01  0.144562D+02  0.109259D+02
               151           152           153           154           155 
      1  -0.502473D+00  0.516505D+01  0.280303D+01  0.459301D+01  0.197425D+00
      2  -0.342895D+01 -0.903979D+01 -0.139100D+02 -0.111916D+02 -0.176718D+01
      3  -0.816816D+00  0.800024D+01  0.840375D+01 -0.798716D+01 -0.211116D+02
               156           157           158           159           160 
      1  -0.700564D+01  0.731815D+01  0.474146D+01 -0.532703D+01 -0.413595D+01
      2   0.187262D+02 -0.136632D+01 -0.562156D+01  0.131564D+02  0.506355D+01
      3  -0.139052D+00 -0.191079D+02 -0.281060D+02  0.174802D+01  0.512856D+01
               161           162           163           164           165 
      1   0.783551D+00  0.262810D+01  0.646954D+01  0.353090D+01 -0.374141D+01
      2   0.411587D+01 -0.104532D+02 -0.134392D+02 -0.648069D+01  0.303563D+01
      3   0.674335D+01 -0.300419D+01 -0.104172D+02 -0.449473D+01  0.124975D+01
               166           167           168           169           170 
      1   0.967351D+01  0.577138D+01  0.320480D+00 -0.252782D+01  0.598134D+01
      2  -0.110482D+02  0.424238D+01  0.998668D+01 -0.477771D+00  0.519522D+01
      3  -0.253759D+01 -0.645693D+01 -0.101113D+02  0.718971D+01 -0.225092D+01
               171           172           173           174           175 
      1  -0.426063D+01 -0.855237D+01 -0.411402D+01  0.146260D+01 -0.108315D+02
      2   0.218733D+02  0.211489D+02  0.490676D+01 -0.758034D+01  0.108954D+02
      3  -0.458385D+01  0.253219D+01  0.298438D+01  0.291918D+01  0.107450D+02
               176           177           178           179           180 
      1  -0.457627D+01 -0.107614D+01  0.110607D+01  0.325954D+00 -0.130563D+01
      2   0.444099D+01 -0.528425D+01 -0.349524D+01 -0.126845D+01  0.665478D+01
      3   0.165186D+01  0.142798D+01  0.261538D+01  0.124900D+01  0.366644D+00
               181           182           183           184           185 
      1  -0.278388D-01  0.343470D+01  0.389979D+01  0.237449D+01  0.719448D+00
      2  -0.624873D+01  0.245604D+01  0.590204D+01 -0.455242D+01 -0.605403D+01
      3  -0.248189D+02  0.834680D+01 -0.240257D+01 -0.240111D+02 -0.797155D+01
               186           187           188           189           190 
      1  -0.235605D+01  0.116727D+02  0.503824D+01 -0.247677D+01 -0.139219D+01
      2  -0.114478D+01 -0.465288D+01 -0.107169D+02  0.235590D+01 -0.469143D+01
      3   0.411824D+01  0.781854D+01  0.389467D+01 -0.168704D+01  0.828207D+01
               191           192           193           194           195 
      1   0.299954D+01 -0.252017D+01  0.305566D+01  0.151139D+01  0.210298D+01
      2   0.547019D+01 -0.316300D+01  0.128844D+02 -0.281530D+01 -0.485852D+00
      3   0.184967D+02 -0.400892D+01  0.478380D+02 -0.110739D+02  0.848860D+00
               196           197           198           199           200 
      1  -0.701297D+00  0.152895D+02 -0.414913D+01 -0.194795D+00 -0.300995D+01
      2  -0.140415D+01  0.295044D+01 -0.388386D+00 -0.114666D+01 -0.736168D+01
      3  -0.124251D+02  0.109976D+01  0.511139D+01 -0.310500D+02 -0.293089D+02
               201           202           203           204           205 
      1   0.110329D+01 -0.289072D+01  0.208029D+01 -0.294660D+01 -0.828880D+01
      2   0.514592D+01 -0.572334D+01  0.933173D+01  0.457224D+00 -0.149096D+02
      3   0.748820D+01  0.715368D+01  0.119663D+02 -0.593786D+01  0.435129D+01
               206           207           208           209           210 
      1   0.312176D+01  0.575255D+00  0.142219D+01 -0.273409D+01  0.331728D+01
      2   0.168942D+02 -0.649144D+01  0.248172D+01 -0.763155D+01  0.156881D+02
      3  -0.797038D+01 -0.674967D+01  0.189960D+01 -0.434554D+02  0.671540D+01
               211           212           213           214           215 
      1   0.406516D+00 -0.193536D+01 -0.480684D+01  0.172359D+01 -0.185371D+01
      2  -0.284332D+01 -0.248947D+01 -0.534627D+01 -0.527478D+01  0.342778D+01
      3  -0.551828D+01 -0.447879D+01  0.229504D+01  0.233346D+01  0.261746D+01
               216           217           218           219           220 
      1   0.134651D+01  0.509144D+00  0.117774D+01 -0.859384D+00 -0.137637D+01
      2  -0.815412D+00  0.728256D+01  0.399465D+01 -0.100951D+01  0.474293D+01
      3  -0.435027D+01  0.356862D+02  0.400192D+01 -0.543478D+01  0.246789D+02
               221           222           223           224           225 
      1   0.257406D+01  0.634306D+01 -0.133744D+02  0.965437D+01 -0.434941D+01
      2   0.875464D+01  0.331431D+02 -0.195970D+02  0.268495D+02 -0.214369D+02
      3  -0.335099D+02 -0.102519D+02 -0.516544D+01 -0.780524D+01 -0.264503D+02
               226           227           228           229           230 
      1   0.122116D+00 -0.269434D+00 -0.145782D+01  0.589186D-02 -0.842577D+00
      2   0.204715D+01  0.178639D+01 -0.241051D+00  0.140045D+01  0.440854D+01
      3   0.779199D+01  0.580965D+01 -0.190340D+01  0.536138D+01  0.172115D+02
               231           232           233           234           235 
      1  -0.396585D+01  0.711372D+00  0.293278D+01  0.303608D+00 -0.931558D+00
      2  -0.129130D+01 -0.313666D+00 -0.115293D+01  0.150501D+00 -0.212670D+01
      3  -0.440678D+01 -0.204120D+01 -0.471900D+01  0.660200D+00 -0.438893D+01
               236           237           238           239           240 
      1   0.681013D+00  0.147804D+01 -0.264920D+00 -0.620771D+00 -0.268878D+01
      2  -0.121814D+00  0.143453D+01 -0.118177D+01  0.169136D+01 -0.306547D+01
      3  -0.395971D+01  0.931045D+00 -0.472837D+01  0.130004D+02 -0.168985D+01
               241           242           243           244           245 
      1  -0.255817D+01  0.123206D+01  0.517181D+00  0.124555D+00 -0.131523D+00
      2  -0.214748D+01 -0.324360D+00  0.119292D+01 -0.136689D+01 -0.101165D+01
      3   0.236680D+01 -0.263306D+01  0.170032D+01 -0.410110D+01 -0.385176D+01
               246           247           248           249           250 
      1  -0.147940D+01  0.199879D+00 -0.372708D+00 -0.343542D+01 -0.120637D-02
      2   0.201416D+01 -0.148539D+01 -0.403492D+01  0.434749D+01 -0.125783D+01
      3   0.861269D+00 -0.279796D+01 -0.171221D+02  0.379043D+01  0.134724D+01
               251           252           253           254           255 
      1   0.169635D+01  0.586669D+00  0.425290D+00 -0.264370D+00 -0.117389D+01
      2   0.732265D+00 -0.991151D+00 -0.591943D+01 -0.432411D+00 -0.215419D+01
      3   0.436507D+01 -0.712357D+00  0.241588D+01  0.299257D+01  0.120410D+01
               256           257           258           259           260 
      1   0.155864D+01 -0.180025D+01 -0.473561D+01  0.301929D+01 -0.134714D+01
      2   0.557510D+01 -0.143783D+02 -0.157981D+02  0.909068D+01 -0.167372D+02
      3  -0.137440D+02  0.347696D+02  0.157983D+02 -0.738797D+01  0.192519D+02
               261           262           263           264           265 
      1  -0.459946D+01  0.170368D+00 -0.211788D+00 -0.422784D+00 -0.885921D+00
      2  -0.164152D+02  0.824534D+01 -0.168669D+01  0.410618D+00 -0.619864D+01
      3   0.169999D+02  0.164208D+00  0.100265D+01  0.788983D+00 -0.825624D+01
               266           267           268           269           270 
      1   0.119224D+01 -0.313825D+01  0.479071D+01 -0.296050D+00  0.788309D+01
      2   0.878690D+01 -0.133904D+02  0.172554D+02 -0.167188D+02  0.388812D+02
      3   0.144810D+02 -0.913188D+01  0.819508D+01 -0.134736D+02  0.163933D+02
               271           272           273           274           275 
      1  -0.105820D+01 -0.426676D+00  0.483256D+00 -0.170446D+00 -0.517831D+00
      2  -0.670833D+01 -0.769590D+00  0.929872D+01 -0.177958D+01 -0.210927D+01
      3  -0.217020D+02 -0.104329D+02  0.182396D+01 -0.120884D+02 -0.790432D+01
               276           277           278           279 
      1  -0.684468D+00  0.189494D+01  0.133005D+00  0.248835D-01
      2   0.224428D+01  0.883383D+01 -0.869330D+00 -0.137799D+01
      3   0.252746D+01  0.235786D+01  0.312448D+01  0.160664D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.929730D+02  0.522642D+02 -0.814653D+01 -0.784185D+02 -0.102190D+01
      2   0.492023D+02 -0.322793D+02  0.487865D+01  0.444138D+02  0.181615D+01
      3   0.437707D+02 -0.199849D+02  0.326788D+01  0.340047D+02 -0.794250D+00
      4   0.553020D+02 -0.666123D+01 -0.730063D+00 -0.634112D+01 -0.215900D+01
      5  -0.179716D+02  0.132000D+01  0.180083D+01 -0.258724D+01  0.238205D+01
      6   0.256647D+01  0.460101D+00 -0.109290D+00  0.183112D+01 -0.252606D+01
                 6             7             8             9            10 
      1   0.222593D+01  0.247430D+02 -0.579477D+01 -0.103208D+02  0.109343D+03
      2  -0.349503D+01 -0.122505D+02  0.231912D+01 -0.951617D+00 -0.531764D+02
      3   0.126910D+01 -0.124925D+02  0.347565D+01  0.112724D+02 -0.561667D+02
      4   0.131712D+01 -0.217822D+01  0.914164D+00  0.767874D+00 -0.342583D+02
      5   0.368573D+00  0.100924D+01 -0.166527D+01  0.462804D+00  0.105686D+02
      6   0.900447D+00  0.157711D+01  0.282961D+01  0.248220D+01 -0.612517D+01
                11            12            13            14            15 
      1  -0.204064D+02 -0.269864D+01  0.755968D+02 -0.286818D+02  0.882110D+00
      2   0.122815D+02  0.469172D+00 -0.347792D+02  0.244574D+02 -0.466235D+01
      3   0.812495D+01  0.222947D+01 -0.408176D+02  0.422441D+01  0.378024D+01
      4   0.559074D+01 -0.127441D+01 -0.136440D+02  0.142957D+02 -0.222897D+01
      5  -0.600083D+01 -0.588181D+01  0.777052D+01 -0.279358D+01  0.676630D+00
      6   0.146555D+01  0.132988D+01 -0.312745D+01 -0.303025D+01  0.663154D+00
                16            17            18            19            20 
      1  -0.259739D+02  0.652200D+01 -0.847414D+01  0.634403D+02 -0.589075D+02
      2   0.127275D+02 -0.578387D+01 -0.444428D+00 -0.339800D+02  0.425966D+02
      3   0.132464D+02 -0.738129D+00  0.891857D+01 -0.294603D+02  0.163109D+02
      4   0.639767D+01 -0.265013D+01  0.280228D+01 -0.542754D+02  0.555840D+01
      5  -0.213268D+01  0.313819D+01  0.907057D+00  0.201550D+02 -0.189684D+01
      6   0.417087D+01  0.450536D+01  0.207476D+01 -0.316526D+01 -0.132791D+01
                21            22            23            24            25 
      1   0.101743D+02 -0.231939D+00  0.377609D+02 -0.863883D+01 -0.434487D+01
      2  -0.746853D+01 -0.127450D+02 -0.368713D+02  0.910343D+01  0.679393D+01
      3  -0.270573D+01  0.129769D+02 -0.889603D+00 -0.464598D+00 -0.244905D+01
      4  -0.538433D+00  0.268079D+02 -0.639152D+01  0.479458D+01 -0.550526D+01
      5  -0.539108D+01 -0.105030D+02  0.671576D+01  0.732873D+01  0.415828D+01
      6   0.138993D+01  0.997118D+01  0.916835D+01  0.816467D+00  0.146499D+01
                26            27            28            29            30 
      1  -0.522315D+01 -0.669353D+01 -0.153008D+01  0.933311D+01  0.150385D+01
      2   0.891076D+01 -0.823875D+01 -0.170797D+02 -0.105154D+02  0.343659D+00
      3  -0.368760D+01  0.149323D+02  0.186098D+02  0.118228D+01 -0.184751D+01
      4   0.648246D+01  0.244445D+01  0.256393D+02  0.116660D+02  0.671948D+00
      5   0.947417D+01 -0.299507D+01 -0.216801D+02  0.352939D+01  0.110797D+02
      6   0.371457D+01  0.813615D+00  0.128487D+02 -0.280189D+00 -0.235341D+01
                31            32            33            34            35 
      1   0.281954D+02 -0.746917D+02  0.137137D+02 -0.957858D+01  0.165731D+02
      2  -0.198861D+02  0.691135D+02 -0.172790D+02  0.425794D+01 -0.167867D+02
      3  -0.830930D+01  0.557827D+01  0.356524D+01  0.532064D+01  0.213621D+00
      4  -0.417241D+02  0.538919D+01  0.196333D+01  0.216219D+02  0.807628D+00
      5   0.154656D+02  0.599642D+00 -0.140607D+01  0.336096D+02 -0.569005D+01
      6   0.146792D+01 -0.100203D+02  0.506397D+00 -0.614136D+01  0.706456D+01
                36            37            38            39            40 
      1  -0.292845D+01 -0.362841D+01  0.713529D+02 -0.174472D+02 -0.177656D+02
      2  -0.528574D+01  0.164152D+00 -0.599586D+02  0.109866D+02  0.223323D+02
      3   0.821420D+01  0.346426D+01 -0.113943D+02  0.646060D+01 -0.456675D+01
      4   0.287196D+01  0.116728D+01 -0.250285D+02  0.466494D+01  0.100446D+02
      5  -0.955471D+00  0.821433D+00  0.532435D+00  0.322504D+01  0.700134D+01
      6   0.549882D+01 -0.346408D+01  0.731376D+01 -0.111802D+02 -0.148748D+02
                41            42            43            44            45 
      1   0.334665D+02 -0.117380D+02  0.698010D+01 -0.168822D+02 -0.101708D+02
      2  -0.349192D+02  0.106227D+02 -0.144508D+02  0.193482D+02  0.152100D+01
      3   0.145274D+01  0.111530D+01  0.747065D+01 -0.246600D+01  0.864977D+01
      4   0.736961D+01 -0.789512D+01  0.495624D+01 -0.578621D+01 -0.924210D+01
      5  -0.889139D+01 -0.583608D+01  0.214059D+02 -0.724210D+01  0.532977D+01
      6   0.111334D+02  0.238372D+01 -0.198447D+02  0.125417D+02  0.349721D+00
                46            47            48            49            50 
      1   0.184969D+01 -0.473843D+02  0.954824D+01  0.274683D+02 -0.592199D+01
      2  -0.381772D+01  0.422931D+02 -0.489269D+01 -0.225892D+02 -0.203622D+01
      3   0.196803D+01  0.509127D+01 -0.465555D+01 -0.487911D+01  0.795821D+01
      4   0.141494D+02 -0.276764D+01  0.115051D+01 -0.461182D+01 -0.112405D+02
      5  -0.214049D+01  0.520957D+01 -0.141537D+01  0.117990D+01  0.299253D+01
      6   0.436912D+01 -0.205842D+01  0.830944D+01  0.457162D+01  0.136047D+02
                51            52            53            54            55 
      1  -0.667834D+01 -0.675219D+01 -0.263930D+01 -0.239007D+02  0.113279D+02
      2   0.897993D+01  0.846389D+01  0.139907D+02  0.109509D+02 -0.821575D+01
      3  -0.230159D+01 -0.171171D+01 -0.113514D+02  0.129498D+02 -0.311214D+01
      4   0.575881D+01  0.266008D+01  0.764017D+01  0.652689D+01 -0.381071D+02
      5   0.118574D+00  0.373410D+01  0.128636D+01 -0.856649D+00  0.756183D+01
      6   0.304467D+01  0.338408D+01  0.230344D+02 -0.836726D+01  0.275732D+01
                56            57            58            59            60 
      1  -0.530041D+02  0.103814D+02  0.458094D+00  0.233412D+02 -0.111426D+02
      2   0.337880D+02 -0.359843D+01 -0.559464D+01 -0.183164D+02  0.949520D+01
      3   0.192161D+02 -0.678295D+01  0.513655D+01 -0.502489D+01  0.164741D+01
      4  -0.276683D+02  0.667194D+01  0.320919D+02 -0.182208D+02  0.454963D+00
      5   0.746219D+01 -0.113225D+02 -0.852023D+01  0.103243D+01 -0.727936D+00
      6  -0.714645D+00  0.643337D+01  0.346877D+01  0.105962D+02  0.176790D+01
                61            62            63            64            65 
      1  -0.181153D+01 -0.792747D+01 -0.203984D+02  0.263370D+01 -0.957705D+00
      2   0.338415D+01  0.152326D+02  0.402210D+01 -0.644056D+00  0.170838D+01
      3  -0.157262D+01 -0.730517D+01  0.163763D+02 -0.198964D+01 -0.750679D+00
      4  -0.572811D+01  0.283422D+01 -0.911105D+01  0.703660D+01  0.904753D+01
      5   0.114516D+01 -0.115296D+02  0.830215D+01 -0.222631D+01 -0.233115D+01
      6   0.734838D+00  0.167641D+02 -0.574024D+01 -0.149385D+01 -0.125258D+01
                66            67            68            69            70 
      1   0.239617D+00 -0.436363D+01 -0.164152D+02  0.445663D+01  0.549516D+00
      2   0.199006D+00  0.563305D+01  0.178064D+02 -0.210950D+01 -0.469711D-01
      3  -0.438623D+00 -0.126942D+01 -0.139120D+01 -0.234713D+01 -0.502545D+00
      4  -0.178618D+01  0.120021D+02  0.168745D+02 -0.375017D+01 -0.315762D+01
      5   0.254127D+01 -0.352294D+01 -0.392457D+01  0.357129D+01  0.174937D+01
      6   0.110594D+01 -0.304158D+01 -0.688416D+01  0.517850D+01  0.208878D+01
                71            72            73            74            75 
      1   0.303680D+01 -0.350068D+01  0.206865D+01  0.569084D+01 -0.109711D+01
      2  -0.255213D+01  0.274609D+01  0.103404D+02 -0.162701D+02  0.200295D+01
      3  -0.484670D+00  0.754589D+00 -0.124091D+02  0.105792D+02 -0.905837D+00
      4  -0.437984D+01  0.233871D+01 -0.290813D+02  0.256077D+02 -0.394931D+01
      5   0.600745D+00 -0.154004D+01  0.424704D+01 -0.407700D+01  0.392935D+01
      6   0.329735D+01 -0.266404D+01 -0.277110D+01  0.320519D+01 -0.348907D+01
                76            77            78            79            80 
      1   0.109165D+02 -0.226207D+02  0.391390D+01 -0.279242D+01  0.455658D+01
      2  -0.231677D+02  0.395104D+02 -0.495549D+01  0.568455D+01 -0.681122D+01
      3   0.122512D+02 -0.168897D+02  0.104160D+01 -0.289213D+01  0.225464D+01
      4   0.283990D+02 -0.357390D+02  0.571670D+01 -0.532041D+01  0.619574D+01
      5  -0.541558D+01  0.588722D+01 -0.424438D+01  0.830845D+00 -0.314877D+01
      6   0.615793D+01 -0.731676D+01  0.670875D+01  0.405328D+00  0.418547D+01
                81            82            83            84            85 
      1  -0.140884D+01 -0.711500D+01 -0.113036D+02  0.318261D+01 -0.832805D+01
      2   0.250363D+01  0.998282D+01  0.166613D+02 -0.338522D+01  0.111534D+02
      3  -0.109479D+01 -0.286782D+01 -0.535774D+01  0.202616D+00 -0.282535D+01
      4  -0.330258D+01  0.853809D+01  0.171771D+02 -0.381831D+01  0.925611D+01
      5   0.178392D+01 -0.142620D+01 -0.258327D+01  0.278180D+01 -0.164338D+01
      6  -0.260956D+01 -0.311062D+01 -0.495972D+01  0.346610D+01 -0.314412D+01
                86            87            88            89            90 
      1  -0.511303D+02  0.123091D+02  0.220565D+01  0.130211D+02 -0.467563D+01
      2   0.693711D+02 -0.134752D+02 -0.320241D+01 -0.159312D+02  0.496866D+01
      3  -0.182408D+02  0.116609D+01  0.996763D+00  0.291007D+01 -0.293024D+00
      4   0.230130D+02 -0.486132D+01 -0.328561D+01 -0.534041D+01  0.288343D+01
      5  -0.239769D+01  0.194332D+01  0.681868D+00  0.266334D+01 -0.146652D+01
      6  -0.177069D+02  0.111742D+02  0.725354D+00  0.740044D+01 -0.442792D+01
                91            92            93            94            95 
      1  -0.389024D+01  0.443459D+01 -0.147564D+02 -0.211546D+01 -0.784575D+01
      2   0.860981D+01  0.453188D+00  0.933814D+00  0.849728D+01 -0.393777D+01
      3  -0.471957D+01 -0.488778D+01  0.138226D+02 -0.638183D+01  0.117835D+02
      4  -0.919619D+01 -0.182080D+02 -0.322550D+01 -0.242354D+02  0.317790D+02
      5   0.180557D+01 -0.477464D+01 -0.197970D+02  0.454568D+00 -0.171629D+02
      6  -0.547536D+01  0.797840D+00  0.859240D+00 -0.552082D+01  0.405578D+01
                96            97            98            99           100 
      1  -0.178776D+01 -0.132449D+01 -0.285257D+01 -0.191892D+02 -0.800441D+02
      2   0.187979D+01 -0.160489D+02  0.798159D+01  0.186885D+02  0.473118D+02
      3  -0.920394D-01  0.173734D+02 -0.512902D+01  0.500696D+00  0.327323D+02
      4  -0.198451D+02 -0.847483D+01 -0.217396D+02 -0.384733D+01  0.291852D+01
      5  -0.331351D+01 -0.658534D+02  0.388166D+01  0.183935D+02  0.449142D+02
      6   0.355055D+01  0.238184D+01 -0.178080D+01 -0.182466D+01 -0.230860D+00
               101           102           103           104           105 
      1  -0.906607D+00  0.309286D+02 -0.829007D+01  0.339066D+02  0.674458D+01
      2   0.203499D+00 -0.986737D+01  0.180896D+01 -0.734154D+01 -0.226171D+01
      3   0.703107D+00 -0.210612D+02  0.648111D+01 -0.265651D+02 -0.448287D+01
      4   0.205186D+02  0.961282D+00  0.199610D+02 -0.324267D+01  0.260015D+02
      5   0.266941D+01  0.773845D+01  0.501509D+01  0.170925D+02  0.384236D+01
      6  -0.123341D+02 -0.129196D+01 -0.645630D+01 -0.241729D+01 -0.210612D+02
               106           107           108           109           110 
      1   0.595906D+01  0.490460D+01  0.173802D+02 -0.641633D+02 -0.256167D+02
      2   0.162602D+02 -0.411792D+01 -0.226583D+02  0.212101D+02  0.245624D+01
      3  -0.222193D+02 -0.786675D+00  0.527812D+01  0.429532D+02  0.231604D+02
      4  -0.356212D+00  0.213796D+02  0.178759D+01 -0.470250D+02 -0.290181D+02
      5   0.413820D+02 -0.146335D+01 -0.305006D+02  0.868269D+01  0.501831D+00
      6  -0.286938D+01 -0.148478D+02 -0.418667D+01  0.754478D+00  0.368151D+01
               111           112           113           114           115 
      1   0.455472D+01 -0.353409D+02 -0.163265D+02  0.113868D+02  0.401110D+02
      2  -0.367637D+01  0.719997D+01  0.243425D+01 -0.902562D-01 -0.155480D+02
      3  -0.878350D+00  0.281410D+02  0.138923D+02 -0.112966D+02 -0.245630D+02
      4   0.344469D+01 -0.168659D+02 -0.270561D+02  0.121687D+02  0.274314D+02
      5  -0.950971D+00  0.225240D+00  0.879731D+01 -0.737148D+01  0.222178D+02
      6  -0.423380D+01  0.511690D+01 -0.172321D+01 -0.137625D+01  0.455842D+01
               116           117           118           119           120 
      1   0.101622D+02  0.224106D+02  0.146467D+02 -0.122806D+02  0.643892D+01
      2  -0.147331D+01 -0.201210D+01 -0.135800D+01  0.229145D+01 -0.156888D+01
      3  -0.868886D+01 -0.203985D+02 -0.132887D+02  0.998916D+01 -0.487005D+01
      4   0.213687D+02  0.609440D+01 -0.247981D+02  0.233955D+02 -0.225400D+01
      5   0.267530D+01  0.245309D+00  0.815715D+01 -0.182941D+01  0.112765D+02
      6  -0.977250D+00 -0.206929D+01 -0.227709D+01  0.129795D+01 -0.101183D+01
               121           122           123           124           125 
      1  -0.196218D+02  0.383930D+01 -0.147072D+01  0.884214D+01  0.130161D+00
      2   0.512802D+01  0.120667D+02 -0.265543D+01 -0.321623D+01 -0.352728D+01
      3   0.144937D+02 -0.159060D+02  0.412616D+01 -0.562591D+01  0.339712D+01
      4   0.236716D+02 -0.450145D+02  0.101576D+02 -0.445071D+01  0.144118D+02
      5  -0.284542D+01  0.926218D+01 -0.108241D+02  0.138387D+02 -0.937351D+01
      6   0.120399D+01 -0.360832D+01  0.413615D+01 -0.277640D+01  0.615823D+01
               126           127           128           129           130 
      1   0.418122D+01 -0.160419D+01  0.793662D+01 -0.112109D+02  0.106768D+02
      2  -0.192435D+01  0.358581D+00 -0.314582D+01 -0.275742D-01 -0.668510D+01
      3  -0.225686D+01  0.124561D+01 -0.479080D+01  0.112385D+02 -0.399167D+01
      4  -0.996590D+01  0.399509D+01 -0.614308D+01  0.244510D+01 -0.120677D+00
      5   0.584964D+01 -0.674838D+00 -0.475300D+00 -0.584391D+01 -0.828491D+01
      6  -0.316492D+01 -0.369076D+01  0.574082D+01 -0.280520D+01  0.120071D+01
               131           132           133           134           135 
      1  -0.172358D+02  0.111043D+02 -0.474928D+01  0.683474D+01 -0.145743D+02
      2   0.562801D+01  0.313831D+01  0.115092D+01  0.174804D+01 -0.183570D+01
      3   0.116077D+02 -0.142426D+02  0.359836D+01 -0.858279D+01  0.164100D+02
      4   0.225099D+02 -0.150348D+02 -0.328264D+00 -0.105354D+02  0.892410D+01
      5  -0.107221D+02  0.162189D+02  0.169784D+01  0.667492D+01 -0.106818D+02
      6  -0.167541D+02  0.136586D+02 -0.638268D-01  0.109162D+02 -0.825500D+01
               136           137           138           139           140 
      1   0.115702D+03 -0.131090D+01 -0.217014D+02  0.251355D+01  0.615063D+01
      2  -0.706422D+02  0.673215D+00  0.199380D+02 -0.256241D+01 -0.444538D+01
      3  -0.450595D+02  0.637690D+00  0.176336D+01  0.488531D-01 -0.170525D+01
      4  -0.560691D+01  0.109759D+02  0.249899D+01  0.146389D+02  0.150965D+00
      5  -0.686758D+02  0.203080D+01  0.312118D+02 -0.230149D+01 -0.705220D+01
      6   0.317950D+01 -0.381645D+01 -0.177146D+01 -0.446931D+01 -0.433529D-01
               141           142           143           144           145 
      1  -0.896756D+00 -0.838062D+01 -0.141205D+01  0.923414D+01  0.837759D+00
      2   0.138582D+01  0.927173D+01  0.544512D+00 -0.754216D+01 -0.135678D+01
      3  -0.489059D+00 -0.891111D+00  0.867536D+00 -0.169199D+01  0.519019D+00
      4  -0.578733D+01 -0.802369D+00 -0.365206D+01  0.360159D+00 -0.358056D+01
      5   0.186473D+01  0.186203D+02  0.109033D+01 -0.854941D+01 -0.407692D+01
      6   0.433160D+01 -0.536860D-01  0.283137D+01  0.450107D+00  0.408909D+01
               146           147           148           149           150 
      1  -0.954492D+01 -0.136684D+02 -0.772709D+01 -0.209263D+02 -0.161183D+02
      2   0.382220D+01  0.204352D+01  0.545138D+01  0.965314D+01  0.184446D+00
      3   0.572272D+01  0.116249D+02  0.227572D+01  0.112732D+02  0.159339D+02
      4  -0.459793D+01 -0.254392D+01  0.363250D+01 -0.260740D+02 -0.210759D+02
      5  -0.126476D+00 -0.437602D+01  0.844460D+01 -0.166944D+02 -0.215937D+02
      6   0.656290D+01  0.505762D+01 -0.627233D+00  0.223922D+02  0.205240D+02
               151           152           153           154           155 
      1  -0.470289D+01 -0.116439D+02 -0.205857D+02  0.147176D+03  0.387571D+02
      2   0.218815D+01 -0.255626D+00 -0.213077D+01 -0.613981D+02 -0.925930D+01
      3   0.251474D+01  0.118996D+02  0.227165D+02 -0.857776D+02 -0.294978D+02
      4   0.289376D+01 -0.146330D+02 -0.148492D+02  0.726247D+02  0.483468D+02
      5   0.390966D+01 -0.129688D+02 -0.196685D+02  0.263732D+01  0.371357D+01
      6  -0.354182D+00  0.155423D+02  0.165169D+02 -0.164086D+01 -0.648055D+00
               156           157           158           159           160 
      1  -0.926277D+01  0.499422D+02  0.317317D+02 -0.523464D+01 -0.128164D+02
      2   0.145927D+01 -0.729749D+01  0.508299D+01 -0.150924D+01  0.250696D+01
      3   0.780351D+01 -0.426447D+02 -0.368147D+02  0.674387D+01  0.103095D+02
      4  -0.437261D+00  0.697282D+02  0.633825D+02 -0.839648D+01 -0.104333D+02
      5   0.291162D+02 -0.155730D+01 -0.345277D+01  0.178220D+02  0.282267D+02
      6   0.739246D+01  0.922156D+00  0.783132D+00  0.854940D+01  0.882460D+01
               161           162           163           164           165 
      1  -0.443272D+01  0.151298D+02  0.406245D+02  0.165701D+02  0.923783D+01
      2  -0.197936D+01 -0.769148D+01 -0.241670D+02 -0.559416D+01 -0.836934D+01
      3   0.641207D+01 -0.743831D+01 -0.164574D+02 -0.109760D+02 -0.868494D+00
      4  -0.141615D+02  0.138716D+02  0.338931D+02  0.154725D+02  0.260906D+01
      5   0.123856D+02 -0.127402D+02  0.235952D+02  0.356287D+01  0.176659D+02
      6   0.719322D+01 -0.269102D+01  0.121458D+02  0.200238D+01  0.102947D+01
               166           167           168           169           170 
      1   0.214226D+02 -0.372291D+01 -0.123662D+02 -0.125648D+02 -0.952089D+01
      2  -0.101361D+02  0.371647D+01  0.292882D+01  0.612796D+00  0.211387D+01
      3  -0.112865D+02  0.644918D-02  0.943740D+01  0.119520D+02  0.740701D+01
      4   0.205891D+02  0.115509D+02  0.114736D+02 -0.829960D+01  0.732491D+00
      5   0.126361D+02  0.131523D+02  0.140619D+02  0.151350D+02  0.650748D+01
      6   0.466665D+01  0.931063D+01  0.134877D+02  0.447899D+00  0.103177D+02
               171           172           173           174           175 
      1  -0.274468D+02 -0.389381D+02 -0.938050D+01  0.112296D+02 -0.213792D+02
      2  -0.142477D+02  0.192268D+02  0.337359D+01  0.259639D+01  0.126642D+02
      3   0.416945D+02  0.197114D+02  0.600692D+01 -0.138260D+02  0.871501D+01
      4   0.408677D+01 -0.268155D+02 -0.112489D+02 -0.186328D+01 -0.189332D+02
      5   0.439861D+02 -0.165389D+02 -0.546097D+01 -0.135013D+02 -0.123338D+02
      6   0.128655D+02 -0.864396D+01 -0.500681D+01 -0.402362D+01 -0.580350D+01
               176           177           178           179           180 
      1  -0.108871D+02  0.397415D+01  0.198105D+01  0.903159D+00 -0.114176D+02
      2   0.510875D+01  0.348702D+01  0.450052D+01  0.684506D+00  0.166782D+01
      3   0.577832D+01 -0.746117D+01 -0.648157D+01 -0.158767D+01  0.974979D+01
      4  -0.708122D+01  0.615538D+00 -0.583525D+01 -0.452105D+00 -0.479131D+01
      5  -0.443803D+00 -0.105664D+02 -0.593445D+01 -0.190603D+01  0.370914D+01
      6  -0.303015D+01  0.100927D+01 -0.295660D+01  0.153613D+01 -0.151469D+01
               181           182           183           184           185 
      1  -0.545171D+01  0.575186D+02 -0.128312D+02 -0.820979D+02  0.293000D+02
      2   0.118645D+01 -0.378861D+02  0.458110D+01  0.513806D+02 -0.227247D+02
      3   0.426527D+01 -0.196326D+02  0.825007D+01  0.307173D+02 -0.657537D+01
      4   0.311511D+02  0.343186D+02 -0.895970D+01  0.313197D+02  0.206186D+02
      5  -0.390080D+01 -0.108544D+02  0.159773D+02  0.121177D+00 -0.127326D+02
      6  -0.251432D+01  0.533777D+01 -0.870712D+01 -0.101874D+02  0.836563D+01
               186           187           188           189           190 
      1  -0.309017D+01  0.225867D+02 -0.125034D+02  0.211767D+01  0.122451D+03
      2   0.368015D+01 -0.226411D+02  0.128767D+02 -0.746262D+01 -0.682228D+02
      3  -0.589978D+00  0.544073D-01 -0.373378D+00  0.534495D+01 -0.542278D+02
      4  -0.129980D+02 -0.537021D+01 -0.156258D+02 -0.134683D+02 -0.210485D+02
      5  -0.382740D+01  0.276611D+02 -0.150169D+02  0.890738D+01  0.909434D+01
      6   0.350517D+01 -0.142816D+02  0.917791D+01  0.103608D+01  0.100068D+01
               191           192           193           194           195 
      1  -0.404346D+02  0.391247D+01  0.559650D+01 -0.189578D+02  0.108738D+02
      2   0.266141D+02 -0.289939D+01 -0.682999D+01  0.207235D+02 -0.117702D+02
      3   0.138205D+02 -0.101309D+01  0.123349D+01 -0.176570D+01  0.896434D+00
      4   0.298100D+02 -0.654475D+01 -0.176870D+02 -0.583618D+02  0.144704D+02
      5  -0.774414D+01 -0.157674D+00  0.156935D+02  0.141325D+02 -0.453215D+01
      6  -0.318961D+00  0.380270D+01  0.561358D+01 -0.816909D+01  0.158262D+00
               196           197           198           199           200 
      1  -0.247110D+01  0.128334D+02  0.240397D+02 -0.115212D+03  0.246630D+02
      2   0.269795D+01 -0.110570D+02 -0.211631D+02  0.563080D+02 -0.132644D+02
      3  -0.226854D+00 -0.177642D+01 -0.287661D+01  0.589042D+02 -0.113986D+02
      4   0.182222D+02  0.919242D+01 -0.657947D+01  0.302375D+02 -0.341861D+02
      5   0.484088D+02 -0.126708D+02  0.184338D+01 -0.735759D+01  0.138984D+02
      6  -0.159073D+01  0.554545D+01  0.394577D+01  0.653568D+01 -0.561554D+00
               201           202           203           204           205 
      1   0.311222D+00  0.932906D+02 -0.173328D+02 -0.430846D+01 -0.156173D+02
      2   0.152842D+00 -0.580351D+02  0.146123D+01  0.533726D+01  0.131928D+02
      3  -0.464065D+00 -0.352555D+02  0.158716D+02 -0.102880D+01  0.242458D+01
      4   0.996460D+01 -0.166346D+02  0.276210D+02  0.274533D+01  0.559320D+01
      5   0.195404D+01  0.459375D+01  0.182397D+01  0.555123D+01  0.554354D+01
      6  -0.101932D+00  0.556740D+01  0.107454D+02  0.188902D+01  0.372060D+01
               206           207           208           209           210 
      1   0.132792D+01 -0.141751D+02  0.161732D+02  0.322096D+02 -0.588523D+01
      2   0.734624D+01 -0.882913D+00 -0.112256D+02 -0.203000D+02  0.288611D+01
      3  -0.867416D+01  0.150580D+02 -0.494764D+01 -0.119096D+02  0.299912D+01
      4   0.967100D+01  0.238675D+02  0.255524D+02  0.323621D+01  0.453568D+01
      5   0.248754D+02 -0.131985D+02 -0.777366D+01  0.521387D+01  0.270027D+02
      6   0.121455D+02 -0.176818D+01  0.141215D+01 -0.904474D+00 -0.539932D+01
               211           212           213           214           215 
      1   0.240064D+00  0.138790D+02 -0.437002D+01  0.353080D+00 -0.467824D+01
      2   0.264504D+01 -0.547456D+01  0.538171D+01  0.140367D+01  0.392006D+01
      3  -0.288510D+01 -0.840447D+01 -0.101169D+01 -0.175675D+01  0.758180D+00
      4   0.396156D+02  0.104828D+02 -0.522428D+01 -0.811579D+01  0.532366D+00
      5  -0.860975D+01 -0.411001D+01 -0.999579D+01  0.124986D+02  0.561265D+01
      6  -0.138138D+01  0.204378D+01  0.785129D+01  0.302072D+01  0.273897D+01
               216           217           218           219           220 
      1   0.223508D+01 -0.643663D+02 -0.454212D+02  0.150895D+02 -0.436182D+02
      2  -0.287736D+01  0.394313D+02  0.226096D+02 -0.772963D+01  0.219778D+02
      3   0.642274D+00  0.249350D+02  0.228116D+02 -0.735990D+01  0.216404D+02
      4   0.767891D+01 -0.437131D+02  0.152667D+02  0.162374D+01 -0.244828D+02
      5  -0.299014D+01  0.146928D+02  0.182430D+01 -0.560906D+01  0.746750D+01
      6  -0.252003D+01 -0.130481D+01 -0.937520D+00  0.174100D+01  0.301980D+01
               221           222           223           224           225 
      1   0.511760D+01  0.103373D+02  0.121381D+02  0.859866D+01 -0.939960D+00
      2  -0.708517D+01 -0.127782D+02 -0.894233D+00 -0.108277D+02  0.545264D-01
      3   0.196757D+01  0.244092D+01 -0.112439D+02  0.222902D+01  0.885434D+00
      4   0.332445D+02  0.218797D+02  0.661186D+01  0.153236D+02  0.426135D+02
      5   0.219896D+02  0.646509D+02 -0.302380D+02  0.467335D+02 -0.401946D+02
      6  -0.910073D+01 -0.188504D+02  0.128191D+02 -0.150279D+02  0.792027D+01
               226           227           228           229           230 
      1  -0.687663D+01 -0.160362D+02  0.448527D+01 -0.713216D+01 -0.456823D+02
      2   0.685827D+01  0.148695D+02 -0.307826D+01  0.677092D+01  0.515282D+02
      3   0.183614D-01  0.116674D+01 -0.140702D+01  0.361239D+00 -0.584588D+01
      4  -0.420635D-01  0.558107D+01 -0.914414D+00  0.252882D+01 -0.989637D+01
      5   0.338677D+00 -0.655367D+00  0.110771D+01 -0.597045D-01  0.396788D+01
      6  -0.230333D+01 -0.422544D+01  0.271674D+01 -0.180259D+01 -0.152292D+02
               231           232           233           234           235 
      1   0.113349D+02  0.217346D+01  0.118466D+02 -0.452171D+01  0.335880D+02
      2  -0.958670D+01 -0.186456D+01 -0.117631D+02  0.389540D+01 -0.110945D+02
      3  -0.174820D+01 -0.308892D+00 -0.835026D-01  0.626315D+00 -0.224935D+02
      4   0.274642D+01 -0.893599D-01  0.273147D+01  0.101806D+01 -0.310546D+02
      5  -0.249659D+01  0.150061D+01 -0.208825D+00 -0.113726D+00  0.580322D+01
      6   0.929113D+01  0.688866D+00  0.606548D+01 -0.367887D+01 -0.205277D+01
               236           237           238           239           240 
      1  -0.128028D+02  0.115093D+01 -0.153342D+02  0.399981D+01 -0.887827D+00
      2  -0.133244D+00  0.365267D-01 -0.378239D+01  0.154666D+02 -0.972021D+00
      3   0.129360D+02 -0.118746D+01  0.191166D+02 -0.194664D+02  0.185985D+01
      4   0.254113D+02 -0.382393D+01  0.376057D+02 -0.433624D+02  0.693343D+01
      5  -0.491720D+01  0.355108D+01 -0.904376D+01  0.893253D+01 -0.625831D+01
      6   0.238412D+01 -0.196575D+01  0.564232D+01 -0.661213D+01  0.519781D+01
               241           242           243           244           245 
      1   0.121023D+01 -0.687396D+00 -0.167736D+01  0.490413D+01  0.852577D+01
      2   0.245252D+01 -0.258231D+01  0.166068D+01  0.261279D+01  0.853187D+00
      3  -0.366275D+01  0.326971D+01  0.166768D-01 -0.751692D+01 -0.937896D+01
      4  -0.760794D+01  0.821015D+01 -0.315743D+01  0.250136D+02  0.235417D+02
      5  -0.148426D+00 -0.282755D+01  0.205179D+01 -0.584768D+01 -0.505684D+01
      6  -0.228979D+00  0.280506D+01 -0.182558D+01 -0.298821D+01 -0.276218D+01
               246           247           248           249           250 
      1  -0.210061D+01  0.603952D+01 -0.899936D+01  0.210326D+01 -0.163508D+01
      2   0.645944D+00  0.665017D+01  0.240354D+02 -0.325459D+01 -0.422671D+00
      3   0.145466D+01 -0.126897D+02 -0.150360D+02  0.115133D+01  0.205775D+01
      4  -0.610852D+01  0.311395D+02  0.508859D+02 -0.119144D+02 -0.825771D+01
      5   0.493085D+01 -0.665399D+01 -0.100846D+02  0.838953D+01  0.454047D+01
      6   0.265323D+01 -0.477552D+01 -0.886868D+01  0.731145D+01  0.365429D+01
               251           252           253           254           255 
      1   0.148923D+01 -0.120574D+01  0.139595D+01 -0.586075D+01 -0.114771D+02
      2  -0.416876D+01  0.235662D+01  0.331335D-01  0.334201D+01  0.568703D+01
      3   0.267953D+01 -0.115088D+01 -0.142909D+01  0.251874D+01  0.579007D+01
      4  -0.129633D+02  0.519722D+01 -0.270668D+01 -0.113436D+01  0.213409D+01
      5   0.327730D+01 -0.310608D+01 -0.104186D+02  0.127811D+01 -0.307980D+01
      6   0.449273D+01 -0.360715D+01  0.262748D+01  0.920834D+00  0.203457D+01
               256           257           258           259           260 
      1  -0.212335D+02  0.390386D+01  0.858129D+00 -0.305795D+02  0.338241D+01
      2   0.544331D+01  0.108686D+02  0.460405D+01  0.135738D+02  0.247640D+01
      3   0.157902D+02 -0.147724D+02 -0.546218D+01  0.170057D+02 -0.585881D+01
      4   0.372264D+02 -0.567698D+02 -0.301081D+02  0.229110D+02 -0.324598D+02
      5   0.169997D+02 -0.309346D+02 -0.311411D+02  0.263231D+02 -0.318837D+02
      6  -0.837259D+01  0.145921D+02  0.127818D+02 -0.985859D+01  0.139473D+02
               261           262           263           264           265 
      1   0.138781D+01  0.105479D+02 -0.165671D+01  0.133314D+02 -0.746450D+01
      2  -0.190019D+01 -0.673979D+01  0.111150D+01 -0.589763D+01  0.269761D+01
      3   0.512378D+00 -0.380808D+01  0.545211D+00 -0.743377D+01  0.476689D+01
      4  -0.295339D+02 -0.992395D+00 -0.947586D+00 -0.545331D+01  0.209041D+02
      5  -0.321574D+02  0.147114D+02 -0.467657D+01  0.400354D+01 -0.155651D+02
      6   0.123697D+02 -0.325823D+01  0.964048D+00  0.238072D+00  0.491899D+01
               266           267           268           269           270 
      1   0.427727D+01 -0.547185D+01  0.455153D+02 -0.989890D+01  0.115380D+02
      2   0.184711D+00  0.215587D+01 -0.285953D+02  0.577183D+01 -0.160861D+02
      3  -0.446198D+01  0.331599D+01 -0.169200D+02  0.412708D+01  0.454802D+01
      4  -0.215073D+02  0.162932D+02 -0.246054D+02  0.211993D+02 -0.271277D+02
      5   0.171427D+02 -0.266629D+02  0.479860D+02 -0.308338D+02  0.753936D+02
      6  -0.599780D+01  0.107560D+02 -0.113980D+02  0.113747D+02 -0.168801D+02
               271           272           273           274           275 
      1   0.199199D+03  0.187832D+02 -0.142208D+02  0.606939D+02  0.191391D+02
      2  -0.105776D+03 -0.108076D+02  0.802061D+01 -0.329339D+02 -0.970791D+01
      3  -0.934234D+02 -0.797558D+01  0.620019D+01 -0.277601D+02 -0.943116D+01
      4   0.162007D+02  0.149674D+02 -0.819966D+00  0.232046D+02  0.140665D+02
      5  -0.151797D+02 -0.954985D+00  0.176967D+02 -0.362091D+01 -0.450606D+01
      6   0.222423D+01 -0.257574D-01 -0.111579D+01  0.140644D+00  0.578404D+00
               276           277           278           279 
      1  -0.423907D+01 -0.238515D+02 -0.224657D+01  0.177081D+02
      2   0.293224D+01  0.134597D+02  0.213137D+01 -0.105434D+02
      3   0.130683D+01  0.103919D+02  0.115202D+00 -0.716476D+01
      4  -0.447390D+01 -0.109720D+01 -0.524811D+01 -0.115920D+01
      5   0.438933D+01  0.255788D+02 -0.133034D+01 -0.355358D+01
      6   0.141879D+01 -0.113203D+01  0.238792D+01 -0.196929D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.210330D+01      0.534607D+01      0.178326D+02
   x          0.199435D+01      0.506914D+01      0.169088D+02
   y          0.571605D+00      0.145287D+01      0.484627D+01
   z          0.345983D+00      0.879402D+00      0.293337D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.183454D+03      0.271851D+02      0.302475D+02
   aniso      0.146367D+03      0.216893D+02      0.241326D+02
   xx         0.274146D+03      0.406242D+02      0.452006D+02
   yx        -0.138067D+02     -0.204594D+01     -0.227641D+01
   yy         0.162745D+03      0.241164D+02      0.268331D+02
   zx        -0.823187D+01     -0.121984D+01     -0.135725D+01
   zy        -0.103439D+02     -0.153281D+01     -0.170548D+01
   zz         0.113472D+03      0.168148D+02      0.187090D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.202744D+03      0.300435D+02      0.334279D+02
   aniso      0.171825D+03      0.254619D+02      0.283301D+02
   xx         0.309086D+03      0.458019D+02      0.509615D+02
   yx        -0.188824D+02     -0.279808D+01     -0.311328D+01
   yy         0.177880D+03      0.263591D+02      0.293285D+02
   zx        -0.810287D+01     -0.120072D+01     -0.133598D+01
   zy        -0.116687D+02     -0.172912D+01     -0.192390D+01
   zz         0.121264D+03      0.179695D+02      0.199938D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -0.02064422         -0.90707113          0.92433595
     6          0.29799910          1.29262756          2.45517971
     6         -0.79111718         -0.63076508         -1.61612003
     6         -1.23436076          1.70799721         -2.66022976
     6         -0.90596916          3.87883470         -1.12724036
     6         -0.16883850          3.68343637          1.34444199
     6          0.44876481         -3.29199181          2.02312660
     1         -1.02378559         -2.32195680         -2.75048061
     1         -1.25383109          5.72537254         -1.94061820
     1          0.06938850          5.36626651          2.48432395
     6         -2.11526311          1.97671064         -5.37029115
     6         -4.85555211          1.12855166         -5.73618687
     6         -0.36798204          0.67575731         -7.28292117
     1         -1.99150682          3.98402550         -5.86765842
     1         -5.06386510         -0.86953240         -5.27920243
     1         -5.44215984          1.40038669         -7.68833598
     1         -6.09590511          2.20775896         -4.49512796
     8         -1.08109917         -0.25381863         -9.22007182
     8          2.12718921          0.72793364         -6.72331029
     1          2.36097213          1.35135007         -5.01753061
     6          1.19166424         -3.51819408          4.49473538
     6          1.50416040         -1.33181816          6.00282811
     6          1.06302996          1.02301370          4.98795886
     8          2.23511561         -1.40618548          8.46480390
     6          2.71681305         -3.78418175          9.60339744
     1          0.21493645         -4.97201390          0.87784433
     1          1.53446680         -5.37165096          5.27482479
     1          1.31272682          2.67370420          6.16906134
     1          4.25898473         -4.77975437          8.65402108
     1          1.02923267         -4.97702780          9.60823917
     1          3.26449527         -3.37777783         11.54119069

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.210330D+01      0.534607D+01      0.178326D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.210330D+01      0.534607D+01      0.178326D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.183454D+03      0.271851D+02      0.302475D+02
   aniso      0.146367D+03      0.216893D+02      0.241326D+02
   xx         0.124841D+03      0.184996D+02      0.205835D+02
   yx        -0.145924D+02     -0.216237D+01     -0.240596D+01
   yy         0.174560D+03      0.258671D+02      0.287810D+02
   zx         0.439368D+02      0.651076D+01      0.724420D+01
   zy        -0.310115D+02     -0.459543D+01     -0.511311D+01
   zz         0.250962D+03      0.371888D+02      0.413781D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.202744D+03      0.300435D+02      0.334279D+02
   aniso      0.171825D+03      0.254619D+02      0.283301D+02
   xx         0.134304D+03      0.199018D+02      0.221437D+02
   yx        -0.176995D+02     -0.262279D+01     -0.291825D+01
   yy         0.192916D+03      0.285872D+02      0.318075D+02
   zx         0.503914D+02      0.746723D+01      0.830842D+01
   zy        -0.391855D+02     -0.580670D+01     -0.646082D+01
   zz         0.281011D+03      0.416416D+02      0.463325D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-U25-34\Freq\RB3LYP\Gen\C14H14O3\PIERPA\12-Aug-2021\0\\#P 
 B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoSymm
 ,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq\\ROA calculat
 ions.\\0,1\C,0.567529,-0.31421,0.221267\C,1.116501,0.958834,-0.121705\
 C,-0.832468,-0.452394,0.346989\C,-1.683696,0.60848,0.142165\C,-1.12909
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 FIREWORKS ENDED
 AND SPECTATORS GONE AWAY....
 AH, HOW VAST AND DARK
                     SHIKI
 Job cpu time:       0 days  6 hours  7 minutes 51.4 seconds.
 Elapsed time:       0 days  0 hours 46 minutes  6.6 seconds.
 File lengths (MBytes):  RWF=    649 Int=      0 D2E=      0 Chk=     26 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 21:29:00 2021.
